SCHEMBL4402796

SCHEMBL4402796

CC(C)(C)CC1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
ATM Q13315 1/20 0.44
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.38
CNR2 P34972 2/20 0.38
FABP6 P51161 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
GPR119 Q8TDV5 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13559724 0.93 ALDH1A1 (0.46) ALDH1A1ATMTP53L3MBTL1NPSR1
SCHEMBL9917293 0.88 ALDH1A1 (0.41) ALDH1A1ATMTP53L3MBTL1NPSR1
SCHEMBL9917296 0.84 ALDH1A1 (0.45) ALDH1A1ATMTP53L3MBTL1NPSR1
SCHEMBL26486872 0.83 ALDH1A1 (0.45) ALDH1A1ATMTP53L3MBTL1NPSR1
SCHEMBL4403162 0.83 ALDH1A1 (0.43) ALDH1A1TP53L3MBTL1TSHRKDM4E
SCHEMBL15945545 0.82 ALDH1A1 (0.42) ALDH1A1CNR2THRATHRBMEN1
SCHEMBL4486230 0.79 ALDH1A1 (0.47) ALDH1A1ATMTP53L3MBTL1NPSR1
SCHEMBL5517671 0.78 TP53 (0.46) ALDH1A1ATMTP53L3MBTL1NPSR1
SCHEMBL9921218 0.78 TP53 (0.50) ALDH1A1ATMTP53L3MBTL1NPSR1
SCHEMBL15471163 0.78 ALDH1A1 (0.35) ALDH1A1ATMCNR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760761-B2 Methods and compositions for targeting PD-L1 ALIGOS THERAPEUTICS, INC. (US) 2023-09-19 US disclosed
US-20230159527-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-05-25 US disclosed
US-11254681-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases NUEVOLUTION A/S (DK) 2022-02-22 US disclosed
US-11247972-B2 Compositions and methods for treating toxoplasmosis, cryptosporidiosis, and other apicomplexan protozoan related diseases UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2022-02-15 US disclosed
US-20200392140-A1 OPTIONALLY FUSED HETEROCYCLYL- SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2020-12-17 US disclosed
US-20200223803-A1 Compositions and Methods for Treating Toxoplasmosis, Cryptosporidiosis, and Other Apicomplexan Protozoan Related Diseases UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION 2020-07-16 US disclosed
US-10544104-B2 Compositions and methods for treating toxoplasmosis, cryptosporidiosis, and other apicomplexan protozoan related diseases University of Washington Through its Center for Co (US) 2020-01-28 US disclosed
US-20180022709-A1 Compositions and Methods for Treating Toxoplasmosis, Cryptosporidiosis, and Other Apicomplexan Protozoan Related Diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-01-25 US disclosed
US-20180022709-A1 Compositions and Methods for Treating Toxoplasmosis, Cryptosporidiosis, and Other Apicomplexan Protozoan Related Diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-01-25 US disclosed
US-9765037-B2 Compositions and methods for treating toxoplasmosis, cryptosporidiosis, and other apicomplexan protozoan related diseases UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2017-09-19 US disclosed
US-8940730-B2 Methods and compositions of treating a Flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-01-27 US disclosed
US-20130029967-A1 Fused Imidazo [3,2 - D] Pyrazines as P13 Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2013-01-31 US disclosed
US-20130018040-A1 Compositions And Methods For Treating Toxoplasmosis, Cryptosporidiosis, And Other Apicomplexan Protozoan Related Diseases UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2013-01-17 US disclosed
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 US disclosed
US-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-06-14 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 US disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 US disclosed
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-01-21 US disclosed
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-01-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11254681-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases PPARD, PPARG, RORC ALDH1A1 1245/4885ATM 2280/4885TP53 298/4885
US-20130018040-A1 Compositions And Methods For Treating Toxoplasmosis, Cryptosporidiosis, And Other Apicomplexan Protozoan Related Diseases PNCK, TXK, CILK1 ALDH1A1 4776/4885ATM 1247/4885TP53 3053/4885
US-20230159527-A1 COMPOUNDS AS BCL-2 INHIBITORS BCL2, BCL2L2, BCL2L1 ALDH1A1 3019/4885ATM 2205/4885TP53 33/4885
US-11247972-B2 Compositions and methods for treating toxoplasmosis, cryptosporidiosis, and other apicomplexan protozoan related diseases PNCK, TXK, CILK1 ALDH1A1 4776/4885ATM 1247/4885TP53 3053/4885
US-20130029967-A1 Fused Imidazo [3,2 - D] Pyrazines as P13 Kinase Inhibitors MTOR, PIK3CA, CDK2 ALDH1A1 2666/4885ATM 924/4885TP53 210/4885
US-10544104-B2 Compositions and methods for treating toxoplasmosis, cryptosporidiosis, and other apicomplexan protozoan related diseases PNCK, TXK, CILK1 ALDH1A1 4776/4885ATM 1247/4885TP53 3053/4885
US-20180022709-A1 Compositions and Methods for Treating Toxoplasmosis, Cryptosporidiosis, and Other Apicomplexan Protozoan Related Diseases PNCK, TXK, CILK1 ALDH1A1 4776/4885ATM 1247/4885TP53 3053/4885
US-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 ALDH1A1 2855/4885ATM 4431/4885TP53 1761/4885
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 ALDH1A1 2855/4885ATM 4431/4885TP53 1761/4885
US-11760761-B2 Methods and compositions for targeting PD-L1 CD274, PDCD1LG2, PDCD1 ALDH1A1 301/4885ATM 2274/4885TP53 20/4885
US-20200392140-A1 OPTIONALLY FUSED HETEROCYCLYL- SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES PPARD, PPARG, RORC ALDH1A1 1245/4885ATM 2280/4885TP53 298/4885
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NSUN3, RNGTT, NSUN2 ALDH1A1 3165/4885ATM 4784/4885TP53 4482/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK ALDH1A1 780/4885ATM 1685/4885TP53 3467/4885
US-20200223803-A1 Compositions and Methods for Treating Toxoplasmosis, Cryptosporidiosis, and Other Apicomplexan Protozoan Related Diseases PNCK, TXK, CILK1 ALDH1A1 4776/4885ATM 1247/4885TP53 3053/4885
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 ALDH1A1 2855/4885ATM 4431/4885TP53 1761/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.