SCHEMBL4815141

SCHEMBL4815141

CCNC(=O)CNC(=O)c1ccc(Cc2cn(CC)c3cc(C#N)ccc23)c(-c2ccc(C)cc2C(=O)OCc2ccccc2)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ PLA2G4A P47712 1/20 0.34
▸ LTB4R Q15722 1/20 0.34
▸ HAT1 O14929 3/20 0.33
▸ EP300 Q09472 3/20 0.33
▸ CYSLTR2 Q9NS75 1/20 0.33
▸ CYSLTR1 Q9Y271 1/20 0.33
▸ HDAC8 Q9BY41 2/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ BRD4 O60885 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
SCHEMBL4811266 0.94 PTGER4 (0.36) PTGER4TSHRMAPK1PLA2G4ALTB4R
SCHEMBL4815680 0.91 PTPRC (0.37) PTGER4TSHRMAPK1PLA2G4ALTB4R
SCHEMBL5168021 0.89 PTGER4 (0.38) PTGER4PLA2G4ALTB4RHAT1EP300
SCHEMBL4812930 0.89 PLA2G4A (0.41) TSHRMAPK1PLA2G4ALTB4RCYSLTR2
SCHEMBL4815675 0.87 ROCK2 (0.42) PTGER4TSHRMAPK1ROCK2
SCHEMBL4812944 0.86 PLA2G4A (0.38) TSHRMAPK1PLA2G4ALTB4RCYSLTR2
SCHEMBL4813338 0.86 P2RX3 (0.40) PTGER4TSHRMAPK1ROCK2
SCHEMBL4815505 0.86 TSHR (0.36) TSHRMAPK1PLA2G4ALTB4RHDAC8
SCHEMBL4805310 0.84 PTGER4 (0.35) PTGER4PLA2G4ALTB4R
SCHEMBL4815125 0.83 TSHR (0.33) TSHRMAPK1PLA2G4ALTB4RHAT1

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.

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