SCHEMBL4811266

SCHEMBL4811266

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
PLA2G4A P47712 1/20 0.33
LTB4R Q15722 1/20 0.33
HDAC1 Q13547 1/20 0.33
ROCK2 O75116 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
PTGER3 P43115 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
PTPRC P08575 2/20 0.32
CTSL P07711 1/20 0.32
PTPN13 Q12923 1/20 0.32

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
SCHEMBL4815141 0.94 PTGER4 (0.34) PTGER4TSHRMAPK1HDAC8HDAC6
SCHEMBL4815680 0.93 PTPRC (0.37) PTGER4TSHRMAPK1HDAC8HDAC6
SCHEMBL4812930 0.91 PLA2G4A (0.41) TSHRMAPK1HDAC8HDAC6PLA2G4A
SCHEMBL4815675 0.89 ROCK2 (0.42) PTGER4TSHRMAPK1ROCK2PPARG
SCHEMBL4812944 0.88 PLA2G4A (0.38) TSHRMAPK1HDAC8HDAC6PLA2G4A
SCHEMBL4813338 0.88 P2RX3 (0.40) PTGER4TSHRMAPK1ROCK2
SCHEMBL4815505 0.88 TSHR (0.36) TSHRMAPK1HDAC8HDAC6PLA2G4A
SCHEMBL4815125 0.84 TSHR (0.33) TSHRMAPK1PLA2G4ALTB4RPPARG
SCHEMBL4805310 0.83 PTGER4 (0.35) PTGER4PLA2G4ALTB4RPTGER3
SCHEMBL4812571 0.83 PLA2G4A (0.43) TSHRMAPK1PLA2G4ALTB4RCYSLTR2

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 2 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
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 PTGER4 697/4885TSHR 2197/4885MAPK1 709/4885

“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.