SCHEMBL4812930

SCHEMBL4812930

CCn1cc(Cc2ccc(C(=O)O)cc2-c2ccc(C)cc2C(=O)OCc2ccccc2)c2ccc(C#N)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 2/20 0.41
LTB4R Q15722 2/20 0.41
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
KDM1A O60341 1/20 0.34
ELANE P08246 2/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
STAT3 P40763 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 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
SCHEMBL4812944 0.94 PLA2G4A (0.38) PLA2G4ALTB4RTSHRMAPK1CYSLTR2
SCHEMBL4815505 0.92 TSHR (0.36) PLA2G4ALTB4RTSHRMAPK1PPARG
SCHEMBL4812571 0.91 PLA2G4A (0.43) PLA2G4ALTB4RTSHRMAPK1CYSLTR2
SCHEMBL4811266 0.91 PTGER4 (0.36) PLA2G4ALTB4RTSHRMAPK1CYSLTR2
SCHEMBL4815141 0.89 PTGER4 (0.34) PLA2G4ALTB4RTSHRMAPK1CYSLTR2
SCHEMBL4815125 0.89 TSHR (0.33) PLA2G4ALTB4RTSHRMAPK1PPARG
SCHEMBL4815680 0.88 PTPRC (0.37) PLA2G4ALTB4RTSHRMAPK1MEN1
SCHEMBL4815675 0.87 ROCK2 (0.42) TSHRMAPK1PPARGMEN1PKM
SCHEMBL4813338 0.86 P2RX3 (0.40) TSHRMAPK1
SCHEMBL5248373 0.85 ELANE (0.36) PLA2G4ALTB4RTSHRMAPK1SLC22A12

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 5 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 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 271/4885LTB4R 588/4885TSHR 2197/4885

“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.