SCHEMBL3108565

SCHEMBL3108565

CC(C)(C)OC(=O)NC(CO)CC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.59
KLK5 Q9Y337 3/20 0.53
KLK7 P49862 1/20 0.53
ATM Q13315 1/20 0.53
PPARA Q07869 3/20 0.50
CTSS P25774 4/20 0.47
CTSL P07711 2/20 0.47
MAPT P10636 1/20 0.47
CTRB1 P17538 2/20 0.46
PPARG P37231 2/20 0.46
CTSK P43235 2/20 0.46
CTSB P07858 1/20 0.46
APP P05067 1/20 0.44
ACE P12821 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL3276799 1.00 SYK (0.59) SYKKLK5KLK7ATMPPARA
SCHEMBL1262680 1.00 SYK (0.59) SYKKLK5KLK7ATMPPARA
SCHEMBL18976490 0.90 SYK (0.57) SYKKLK5KLK7ATMPPARA
SCHEMBL31154007 0.90 SYK (0.57) SYKKLK5KLK7ATMPPARA
SCHEMBL15928906 0.90 ATM (0.62) SYKKLK5KLK7ATMPPARA
SCHEMBL17207697 0.90 SYK (0.59) SYKKLK5KLK7ATMPPARA
SCHEMBL14119009 0.90 ATM (0.62) SYKKLK5KLK7ATMPPARA
SCHEMBL6685926 0.90 SYK (0.59) SYKKLK5KLK7ATMPPARA
SCHEMBL6685929 0.90 SYK (0.59) SYKKLK5KLK7ATMPPARA
SCHEMBL5197783 0.90 SYK (0.62) SYKKLK5KLK7ATMPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 WO disclosed
CN-116601158-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-15 CN disclosed
US-RE49594-E1 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2023-08-01 US disclosed
US-11535630-B2 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2022-12-27 US disclosed
CN-108602806-B Improved apelin receptor (APJ) agonists and uses thereof 研究三角协会 2022-07-12 CN disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
US-10954247-B2 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (NC) 2021-03-23 US disclosed
US-20210070767-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE 2021-03-11 US disclosed
CN-105829286-B Heteroaryl butanoic acid derivative as LTA4H inhibitor 诺华股份有限公司 2019-05-31 CN disclosed
EP-3386976-A1 IMPROVED APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF Research Triangle Institute, International (US) 2018-10-17 EP disclosed
CN-1201454-A Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists SEARLE & CO (US) 1998-12-09 CN disclosed
EP-0715623-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1998-09-09 EP disclosed
EP-0850221-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1998-07-01 EP disclosed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 WO disclosed
EP-0715623-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-06-12 EP disclosed
US-5489594-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-02-06 US disclosed
US-5441974-A Phenyl amidines lactones useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-08-15 US disclosed
US-5430043-A Platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-07-04 US disclosed
WO-1995006038-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO disclosed
WO-1993012103-A1 PHENYL AMIDINES LACTONES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-06-24 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 (3 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-11535630-B2 Apelin receptor (APJ) agonists and uses thereof APLNR, AP1G1, APMAP SYK 4537/4885KLK5 2705/4885KLK7 1874/4885
US-20210070767-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, AP1G1, APMAP SYK 4537/4885KLK5 2705/4885KLK7 1874/4885
US-10954247-B2 Apelin receptor (APJ) agonists and uses thereof APLNR, AP1G1, APMAP SYK 4537/4885KLK5 2705/4885KLK7 1874/4885

“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.