SCHEMBL213957

SCHEMBL213957

Nc1cccc(OCC(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.64
ALOX15 P16050 2/20 0.62
TP53 P04637 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAOB P27338 2/20 0.56
PTPN7 P35236 1/20 0.56
MAPK1 P28482 1/20 0.53
PTGDR2 Q9Y5Y4 1/20 0.51
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
PLA2G4B P0C869 1/20 0.49
TSHR P16473 2/20 0.49
DHFR P00374 1/20 0.48
PLA2G10 O15496 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 1/20 0.47
APP P05067 1/20 0.47

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
SCHEMBL413254 0.86 LMNA (0.81) LMNAALOX15PTPN7MAPK1PPARG
SCHEMBL655613 0.85 CYP3A4 (0.56) LMNATP53CYP3A4MAOBTSHR
SCHEMBL10753958 0.84 CYP3A4 (0.59) LMNATP53CYP3A4MAOBTSHR
SCHEMBL6538768 0.81 PTGDR2 (0.59) LMNAALOX15PTPN7PTGDR2DHFR
SCHEMBL217079 0.81 CYP3A4 (0.56) LMNATP53CYP3A4MAOBTSHR
SCHEMBL6309076 0.81 CYP3A4 (0.61) LMNATP53CYP3A4MAOBPPARG
SCHEMBL5120648 0.81 MAPK1 (0.64) LMNAALOX15TP53PTPN7MAPK1
SCHEMBL3924075 0.80 ALOX15 (0.54) LMNAALOX15PTPN7PTGDR2TSHR
SCHEMBL1018491 0.80 KMT2A (0.54) LMNATP53CYP3A4MAOBTSHR
SCHEMBL3651443 0.80 TP53 (0.59) LMNATP53CYP3A4MAOBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2020-11-10 US disclosed
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-04-25 US disclosed
US-9714238-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2017-07-25 US disclosed
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2016-11-24 US disclosed
US-20150175586-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2015-06-25 US disclosed
EP-2844638-A1 NOVEL EP2 RECEPTOR AGONISTS Takeda GmbH (DE) 2015-03-11 EP disclosed
EP-1663204-B1 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2014-05-07 EP disclosed
EP-1663204-B1 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2014-05-07 EP disclosed
US-8710222-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2014-04-29 US disclosed
US-8710222-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2014-04-29 US disclosed
EP-1123283-A1 THIAZOLE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-08-16 EP disclosed
WO-2000024724-A1 THIAZOLE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-05-04 WO disclosed
US-5776929-A GASTRIN INHIBITOR; GASTROINTESTINAL DISORDERS SHIONOGI & CO., LTD. (JP) 1998-07-07 US disclosed
EP-0728748-A1 NOVEL BENZODIAZEPINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1996-08-28 EP disclosed
US-5382590-A Gastrointestinal disorders and nervous system disorders RHONE-POULENC RORER S.A. (FR) 1995-01-17 US disclosed
EP-0230985-B1 GAMMA-GLUTAMYL-4-AZOANILIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE FOR THE DETERMINATION OF GAMMA-GLUTAMYLTRANSFERASE Roche Diagnostics GmbH (DE) 1990-08-01 EP disclosed
US-4943526-A LIVER DISORDERS, DETERMINATION OF GAMMA GLUTAMYL TRANSFERASE BOEHRINGER MANNHEIM GMBH (DE) 1990-07-24 US disclosed
US-4769447-A SUBSTRATES FOR G-GLUTAMYL TRANSFERASE DETERMINATION BOEHRINGER MANNHEIM GMBH (DE) 1988-09-06 US disclosed
EP-0230985-A2 Gamma-glutamyl-4-azoanilides, process for their preparation and their use for the determination of gamma-glutamyltransferase Roche Diagnostics GmbH (DE) 1987-08-05 EP disclosed
US-3932122-A COLORING POLYESTER TEXTILES CIBA-GEIGY AG (CH) 1976-01-13 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 (4 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-20150175586-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 LMNA 1956/4885ALOX15 1315/4885TP53 4243/4885
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 LMNA 1956/4885ALOX15 1315/4885TP53 4243/4885
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors ABL1, DCK, ERBB2 LMNA 4489/4885ALOX15 4806/4885TP53 436/4885
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 LMNA 2409/4885ALOX15 979/4885TP53 1214/4885

“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.