SCHEMBL9917295

SCHEMBL9917295

CC(C)(C)CCC1CCCN(S(C)(=O)=O)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
ATM Q13315 1/20 0.43
TSHR P16473 3/20 0.40
MAPK1 P28482 2/20 0.38
GAA P10253 1/20 0.38
GLA P06280 1/20 0.37
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
ALOX15 P16050 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2C19 P33261 2/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
F2R P25116 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP19A1 P11511 1/20 0.33
FABP6 P51161 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 0.90 ALDH1A1 (0.41) ALDH1A1ATMTSHRMAPK1GAA
SCHEMBL4404400 0.85 ALDH1A1 (0.43) ALDH1A1ATMTSHRMAPK1GAA
SCHEMBL21025012 0.83 ALDH1A1 (0.36) ALDH1A1ATM
SCHEMBL4512108 0.81 GAA (0.43) ALDH1A1ATMTSHRMAPK1GAA
SCHEMBL9917296 0.81 ALDH1A1 (0.45) ALDH1A1ATMTSHRGAANPSR1
SCHEMBL3749547 0.80 ALDH1A1 (0.42) ALDH1A1ATMTSHRMAPK1GAA
SCHEMBL11980472 0.80 ALDH1A1 (0.42) ALDH1A1ATMTSHRMAPK1GAA
SCHEMBL12768 0.78 GAA (0.46) ALDH1A1ATMTSHRMAPK1GAA
SCHEMBL13198913 0.78 GAA (0.46) ALDH1A1ATMTSHRMAPK1GAA
SCHEMBL13186413 0.78 GAA (0.46) ALDH1A1ATMTSHRMAPK1GAA

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20170015631-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE SUMITOMO PHARMA ONCOLOGY, INC. 2017-01-19 US disclosed
US-9149463-B2 Methods and compositions of treating a Flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANDFORD JUNIOR UNIVERSITY (US) 2015-10-06 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-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 (12 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-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 ALDH1A1 2855/4885ATM 4431/4885TSHR 4766/4885
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 ALDH1A1 2855/4885ATM 4431/4885TSHR 4766/4885
US-10766865-B2 PKM2 modulators and methods for their use PDK1, PDK2, PKM ALDH1A1 2333/4885ATM 221/4885TSHR 249/4885
US-10472328-B2 PKM2 modulators and methods for their use PDK1, PDK2, PKM ALDH1A1 2333/4885ATM 221/4885TSHR 249/4885
US-20170015631-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE PDK1, PDK2, PKM ALDH1A1 2333/4885ATM 221/4885TSHR 249/4885
US-10207996-B2 PKM2 modulators and methods for their use PDK1, PDK2, PKM ALDH1A1 2333/4885ATM 221/4885TSHR 249/4885
US-20150152064-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 ALDH1A1 2855/4885ATM 4431/4885TSHR 4766/4885
US-20200237766-A1 PKM2 ACTIVATORS IN COMBINATION WITH REACTIVE OXYGEN SPECIES FOR TREATMENT OF CANCER PDK1, PDK2, PCK2 ALDH1A1 978/4885ATM 138/4885TSHR 1094/4885
US-20190119219-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE PDK1, PDK2, PKM ALDH1A1 2333/4885ATM 221/4885TSHR 249/4885
US-20210002233-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE PDK1, PDK2, PKM ALDH1A1 2333/4885ATM 221/4885TSHR 249/4885
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NSUN3, RNGTT, NSUN2 ALDH1A1 3165/4885ATM 4784/4885TSHR 4438/4885
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 ALDH1A1 2855/4885ATM 4431/4885TSHR 4766/4885

“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.