SCHEMBL9917296

SCHEMBL9917296

CC(C)(C)CCC1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 2/20 0.41
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.38
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.36
CNR2 P34972 2/20 0.36
EPHX1 P07099 1/20 0.35
EPHX2 P34913 1/20 0.35
FABP6 P51161 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
OPRL1 P41146 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9917294 0.91 ALDH1A1 (0.41) ALDH1A1ATMNPSR1TP53L3MBTL1
SCHEMBL4402796 0.84 ALDH1A1 (0.44) ALDH1A1ATMNPSR1TP53L3MBTL1
SCHEMBL21025012 0.82 ALDH1A1 (0.36) ALDH1A1ATMCNR2
SCHEMBL9917295 0.81 ALDH1A1 (0.43) ALDH1A1ATMNPSR1TSHRFABP6
SCHEMBL17404859 0.80 FAAH (0.44) ALDH1A1EPHX2GPR119
SCHEMBL4486230 0.80 ALDH1A1 (0.47) ALDH1A1ATMNPSR1TP53L3MBTL1
SCHEMBL11980468 0.78 ALDH1A1 (0.46) ALDH1A1ATMNPSR1TP53L3MBTL1
SCHEMBL13254838 0.78 ALDH1A1 (0.46) ALDH1A1ATMNPSR1TP53L3MBTL1
SCHEMBL3756317 0.78 ALDH1A1 (0.46) ALDH1A1ATMNPSR1TP53L3MBTL1
SCHEMBL13559724 0.78 ALDH1A1 (0.46) ALDH1A1ATMNPSR1TP53L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20210002233-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE SUMITOMO PHARMA ONCOLOGY, INC. 2021-01-07 US disclosed
US-10766865-B2 PKM2 modulators and methods for their use SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. (US) 2020-09-08 US disclosed
US-20200237766-A1 PKM2 ACTIVATORS IN COMBINATION WITH REACTIVE OXYGEN SPECIES FOR TREATMENT OF CANCER SUMITOMO PHARMA ONCOLOGY, INC. 2020-07-30 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-10472328-B2 PKM2 modulators and methods for their use TOLERO PHARMACEUTICALS, INC. (US) 2019-11-12 US disclosed
US-20190119219-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE SUMITOMO PHARMA ONCOLOGY, INC. 2019-04-25 US disclosed
US-10207996-B2 PKM2 modulators and methods for their use TOLERO PHARMACEUTICALS, INC. (US) 2019-02-19 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-9101628-B2 Methods and composition of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-08-11 US disclosed
US-20150152064-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2015-06-04 US disclosed
US-8975247-B2 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNION UNIVERSITY (US) 2015-03-10 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-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-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-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

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

For each of this compound's patents that has machine-readable text (16 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-20130018040-A1 Compositions And Methods For Treating Toxoplasmosis, Cryptosporidiosis, And Other Apicomplexan Protozoan Related Diseases PNCK, TXK, CILK1 ALDH1A1 4776/4885ATM 1247/4885NPSR1 4210/4885
US-11247972-B2 Compositions and methods for treating toxoplasmosis, cryptosporidiosis, and other apicomplexan protozoan related diseases PNCK, TXK, CILK1 ALDH1A1 4776/4885ATM 1247/4885NPSR1 4210/4885
US-10544104-B2 Compositions and methods for treating toxoplasmosis, cryptosporidiosis, and other apicomplexan protozoan related diseases PNCK, TXK, CILK1 ALDH1A1 4776/4885ATM 1247/4885NPSR1 4210/4885
US-20180022709-A1 Compositions and Methods for Treating Toxoplasmosis, Cryptosporidiosis, and Other Apicomplexan Protozoan Related Diseases PNCK, TXK, CILK1 ALDH1A1 4776/4885ATM 1247/4885NPSR1 4210/4885
US-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 ALDH1A1 2855/4885ATM 4431/4885NPSR1 3885/4885
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 ALDH1A1 2855/4885ATM 4431/4885NPSR1 3885/4885
US-10766865-B2 PKM2 modulators and methods for their use PDK1, PDK2, PKM ALDH1A1 2333/4885ATM 221/4885NPSR1 3454/4885
US-10472328-B2 PKM2 modulators and methods for their use PDK1, PDK2, PKM ALDH1A1 2333/4885ATM 221/4885NPSR1 3454/4885
US-10207996-B2 PKM2 modulators and methods for their use PDK1, PDK2, PKM ALDH1A1 2333/4885ATM 221/4885NPSR1 3454/4885
US-20150152064-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 ALDH1A1 2855/4885ATM 4431/4885NPSR1 3885/4885
US-20200237766-A1 PKM2 ACTIVATORS IN COMBINATION WITH REACTIVE OXYGEN SPECIES FOR TREATMENT OF CANCER PDK1, PDK2, PCK2 ALDH1A1 978/4885ATM 138/4885NPSR1 4595/4885
US-20190119219-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE PDK1, PDK2, PKM ALDH1A1 2333/4885ATM 221/4885NPSR1 3454/4885
US-20210002233-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE PDK1, PDK2, PKM ALDH1A1 2333/4885ATM 221/4885NPSR1 3454/4885
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NSUN3, RNGTT, NSUN2 ALDH1A1 3165/4885ATM 4784/4885NPSR1 4165/4885
US-20200223803-A1 Compositions and Methods for Treating Toxoplasmosis, Cryptosporidiosis, and Other Apicomplexan Protozoan Related Diseases PNCK, TXK, CILK1 ALDH1A1 4776/4885ATM 1247/4885NPSR1 4210/4885
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 ALDH1A1 2855/4885ATM 4431/4885NPSR1 3885/4885

“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.