SCHEMBL4863979

SCHEMBL4863979

CCn1cc(Cc2ccccc2-c2ncc(Cl)cc2C(=O)O)c2ccc(C(=N)N)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.36
F10 P00742 8/20 0.34
F2 P00734 7/20 0.34
PRSS1 P07477 6/20 0.34
PLA2G4A P47712 1/20 0.34
CPT1A P50416 1/20 0.34
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
MCL1 Q07820 1/20 0.32
BAD Q92934 1/20 0.32
PRSS2 P07478 2/20 0.32
PRSS3 P35030 2/20 0.32
CA12 O43570 3/20 0.32
CA9 Q16790 3/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 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
SCHEMBL4814925 0.86 PLA2G4A (0.40) SLC22A12F10F2PRSS1PLA2G4A
SCHEMBL4811451 0.85 SLC22A12 (0.41) SLC22A12F10F2PRSS1MCL1
SCHEMBL4813962 0.84 KMT2A (0.38) SLC22A12F10F2PRSS1MCL1
SCHEMBL4815014 0.81 SLC22A12 (0.40) SLC22A12F10F2PRSS1PLA2G4A
SCHEMBL4806730 0.79 SLC22A12 (0.37) SLC22A12F10F2PRSS1CA12
SCHEMBL4814585 0.79 SLC22A12 (0.48) SLC22A12F10F2PRSS1PDE4A
SCHEMBL4813787 0.79 KDM4E (0.46) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL4808748 0.79 ALDH1A1 (0.43) SLC22A12F10F2PRSS1PLA2G4A
SCHEMBL4809607 0.78 SLC22A12 (0.37) SLC22A12F10F2PRSS1PRSS2
SCHEMBL4815488 0.78 SLC22A12 (0.42) SLC22A12F10F2PRSS1PLA2G4A

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 SLC22A12 4383/4885F10 12/4885F2 3/4885

“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.