SCHEMBL4807028

SCHEMBL4807028

CCn1cc(Cc2ccc(C(=O)O)cc2-c2ccc(OC)cc2CO)c2ccc(C(=N)N)cc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 4/20 0.40
CYSLTR2 Q9NS75 2/20 0.39
CYSLTR1 Q9Y271 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SLC22A12 Q96S37 1/20 0.38
BAZ2B Q9UIF8 1/20 0.37
BAZ2A Q9UIF9 1/20 0.37
SSTR5 P35346 2/20 0.35
NPC1 O15118 1/20 0.35
PLA2G2A P14555 1/20 0.34
AKR1A1 P14550 1/20 0.34
AKR1B1 P15121 1/20 0.34
HTR6 P50406 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
SCHEMBL4813707 0.86 PLA2G4A (0.44) PLA2G4ACYSLTR2CYSLTR1RAB9AKDM4E
SCHEMBL4805843 0.84 F2 (0.45) PLA2G4ACYSLTR2CYSLTR1RAB9AKDM4E
SCHEMBL4808748 0.84 ALDH1A1 (0.43) PLA2G4ARAB9AKDM4EALDH1A1HPGD
SCHEMBL6398608 0.83 F2 (0.47) CYSLTR2CYSLTR1RAB9AKDM4EALDH1A1
SCHEMBL6394085 0.82 F2 (0.46) PLA2G4ARAB9AKDM4EALDH1A1HPGD
SCHEMBL4813031 0.82 F2 (0.46) RAB9AKDM4EALDH1A1HPGDTSHR
SCHEMBL4816001 0.81 F10 (0.45) RAB9AALDH1A1TSHRPLA2G2A
SCHEMBL4810862 0.81 SLC22A12 (0.42) PLA2G4ACYSLTR2CYSLTR1RAB9AKDM4E
SCHEMBL4809436 0.80 F10 (0.44) RAB9AKDM4EALDH1A1HPGDTSHR
SCHEMBL4806248 0.80 F2 (0.45) PLA2G4ACYSLTR2CYSLTR1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417063-B2 Bicyclic heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US claimed
US-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent BRISTOL-MYERS SQUIBB COMPANY 2005-10-13 US claimed
US-7417063-B2 Bicyclic heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
EP-1740538-A4 BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-12-19 EP disclosed
EP-1740538-A2 BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-01-10 EP disclosed
WO-2005099709-A2 BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-27 WO disclosed
US-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent BRISTOL-MYERS SQUIBB COMPANY 2005-10-13 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 (1 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-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent F12, F11, F2 PLA2G4A 271/4885CYSLTR2 1995/4885CYSLTR1 1924/4885

“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.