SCHEMBL4813445

SCHEMBL4813445

CCn1cc(Cc2ccc(C(=O)NCC3CCCCC3)cc2-c2ccc(C)cc2C(=O)O)c2ccc(C(=N)N)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40
PPARG P37231 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
PDE10A Q9Y233 1/20 0.38
F3 P13726 1/20 0.37
NAMPT P43490 1/20 0.37
MMP13 P45452 1/20 0.37
F10 P00742 1/20 0.37
MAPK14 Q16539 1/20 0.35
TPSAB1 Q15661 1/20 0.35

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
SCHEMBL4811173 0.96 MAPK14 (0.37) F2PRSS1PRSS2PRSS3ST14
SCHEMBL4815189 0.87 F3 (0.37) F2PLGPRSS1PRSS2PRSS3
SCHEMBL4815590 0.87 PLAU (0.38) F2PLGPRSS1PRSS2PRSS3
SCHEMBL4811462 0.86 F7 (0.36) F2PLGPRSS1PRSS2PRSS3
SCHEMBL4810862 0.85 SLC22A12 (0.42) F2KDM4EALDH1A1THRBHPGD
SCHEMBL4807167 0.85 F10 (0.42) F2PLGPRSS1PRSS2PRSS3
SCHEMBL4812228 0.85 F7 (0.36) F2PLGPRSS1PRSS2PRSS3
SCHEMBL4807591 0.83 PIK3CA (0.39) F2ALDH1A1HPGDF3MMP13
SCHEMBL4808119 0.83 F2 (0.35) F2PLGPRSS1PRSS2PRSS3
SCHEMBL4810755 0.83 P2RX3 (0.43) F2PLGF3F10

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 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

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 F2 3/4885PLG 22/4885PRSS1 53/4885

“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.