SCHEMBL725129

SCHEMBL725129

CCCCCNc1nc(C(=O)O)cs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.57
ALDH1A1 P00352 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
MAPT P10636 1/20 0.56
STAT1 P42224 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
POLB P06746 2/20 0.44
HCAR3 P49019 1/20 0.43
FLT3 P36888 1/20 0.43
TYRO3 Q06418 1/20 0.43
MERTK Q12866 1/20 0.43
GAS6 Q14393 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 1/20 0.41
PDE5A O76074 1/20 0.41
CLK2 P49760 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL10467225 0.98 PLA2G4A (0.59) PLA2G4AALDH1A1NPC1RAB9AMAPT
SCHEMBL2880127 0.87 MAPT (0.51) PLA2G4AALDH1A1NPC1RAB9AMAPT
SCHEMBL25083597 0.82 L3MBTL1 (0.62) PLA2G4AALDH1A1NPC1RAB9AMAPT
SCHEMBL10465516 0.82 CYP1A2 (0.64) PLA2G4AALDH1A1NPC1RAB9AMAPT
SCHEMBL28512739 0.81 PDE5A (0.62) PLA2G4AALDH1A1RAB9AMAPTL3MBTL1
SCHEMBL792862 0.80 MAPT (0.45) PLA2G4AALDH1A1NPC1RAB9AMAPT
SCHEMBL10278061 0.79 L3MBTL1 (0.54) PLA2G4AALDH1A1NPC1RAB9AMAPT
SCHEMBL5184461 0.76 L3MBTL1 (0.58) PLA2G4AALDH1A1NPC1RAB9AMAPT
SCHEMBL4099165 0.76 RAB9A (0.59) ALDH1A1NPC1RAB9AMAPTSTAT1
SCHEMBL11498389 0.75 PDE5A (0.50) ALDH1A1NPC1RAB9AMAPTSTAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER Oncternal Therapeutics, Inc. (US) 2022-01-27 US disclosed
US-11084811-B2 Compounds for treatment of cancer Oncternal Therapeutics, Inc. (US) 2021-08-10 US disclosed
EP-2608671-B1 COMPOUNDS FOR TREATMENT OF CANCER GTX INC (US) 2018-12-12 EP disclosed
US-9751858-B2 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2017-09-05 US disclosed
US-20170226086-A1 COMPOUNDS FOR TREATMENT OF CANCER GTx. Inc. (US) 2017-08-10 US disclosed
US-9447049-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2016-09-20 US disclosed
EP-3064204-A1 COMPOUNDS FOR TREATMENT OF CANCER GTx, Inc. (US) 2016-09-07 EP disclosed
US-20160237060-A1 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2016-08-18 US disclosed
EP-3037417-A2 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2016-06-29 EP disclosed
US-9353068-B2 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2016-05-31 US disclosed
EP-2608671-A1 COMPOUNDS FOR TREATMENT OF CANCER Gtx, Inc. (US) 2013-07-03 EP disclosed
US-20130053402-A1 SUBSTITUTED 3-THIAZOLOAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-02-28 US disclosed
US-20130053416-A1 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-02-28 US disclosed
WO-2013014205-A1 SUBSTITUTED 3 - (THIAZOLE - 4 - CARBONYL) - OR 3 - (THIAZOLE - 2 - CARBONYL) AMINOPROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-01-31 WO disclosed
WO-2013014204-A2 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-01-31 WO disclosed
EP-2542081-A1 COMPOUNDS FOR TREATMENT OF CANCER Gtx, Inc. (US) 2013-01-09 EP disclosed
US-20120071524-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2012-03-22 US disclosed
WO-2012027481-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2012-03-01 WO disclosed
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2011-10-20 US disclosed
WO-2011109059-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2011-09-09 WO 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 (8 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-20120071524-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 PLA2G4A 1296/4885ALDH1A1 209/4885NPC1 1453/4885
US-11084811-B2 Compounds for treatment of cancer KLK3, BRDT, ACP3 PLA2G4A 1296/4885ALDH1A1 209/4885NPC1 1453/4885
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 PLA2G4A 1296/4885ALDH1A1 209/4885NPC1 1453/4885
US-20170226086-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 PLA2G4A 1296/4885ALDH1A1 209/4885NPC1 1453/4885
US-20160237060-A1 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CTSF, CTSS, CTSV PLA2G4A 325/4885ALDH1A1 1184/4885NPC1 884/4885
US-20130053416-A1 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CTSF, CTSS, CTSV PLA2G4A 281/4885ALDH1A1 1533/4885NPC1 814/4885
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 PLA2G4A 1296/4885ALDH1A1 209/4885NPC1 1453/4885
US-20130053402-A1 SUBSTITUTED 3-THIAZOLOAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CTSF, CTSS, CTSK PLA2G4A 544/4885ALDH1A1 497/4885NPC1 615/4885

“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.