SCHEMBL4815653

SCHEMBL4815653

CCn1cc(Cc2cccc(-c3ccc(C(N)=O)cc3C(=O)O)c2)c2ccc(C(=N)N)cc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.41
F10 P00742 13/20 0.41
F11 P03951 10/20 0.41
F7 P08709 9/20 0.41
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
F3 P13726 1/20 0.36
PLA2G2A P14555 4/20 0.36
PLA2G10 O15496 3/20 0.35
PLA2G1B P04054 1/20 0.35
PLA2G5 P39877 1/20 0.35
PLA2G2C Q5R387 1/20 0.35
PLA2G12B Q9BX93 1/20 0.35
PLA2G12A Q9BZM1 1/20 0.35
PLA2G2F Q9BZM2 1/20 0.35
PLA2G3 Q9NZ20 1/20 0.35
PLA2G2E Q9NZK7 1/20 0.35
PLA2G2D Q9UNK4 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
SCHEMBL4813769 0.91 HDAC1 (0.44) SLC22A12F10F11F7
SCHEMBL4807618 0.90 ALDH1A1 (0.41) SLC22A12F10F11F7F2
SCHEMBL5150813 0.78 SLC22A12 (0.39) SLC22A12F10F7F2PLG
SCHEMBL4811451 0.77 SLC22A12 (0.41) SLC22A12F10F11F7F2
SCHEMBL4814925 0.77 PLA2G4A (0.40) SLC22A12F10F11F7F2
SCHEMBL4810862 0.75 SLC22A12 (0.42) SLC22A12F10F11F7F2
SCHEMBL4808748 0.75 ALDH1A1 (0.43) SLC22A12F10F7F2PLG
SCHEMBL4814585 0.75 SLC22A12 (0.48) SLC22A12F10F2PLG
SCHEMBL4807167 0.73 F10 (0.42) F10F7F2PLGF3
SCHEMBL4815014 0.73 SLC22A12 (0.40) SLC22A12F10F7F2PLG

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 SLC22A12 4383/4885F10 12/4885F11 2/4885

“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.