SCHEMBL4815014

SCHEMBL4815014

CCn1cc(Cc2ccccc2-c2cc(C)ccc2C(=O)O)c2ccc(C(=N)N)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.40
MCL1 Q07820 4/20 0.37
BAD Q92934 4/20 0.37
MAPT P10636 1/20 0.35
PLA2G4A P47712 1/20 0.35
LTB4R Q15722 1/20 0.35
TP53 P04637 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.33
APEX1 P27695 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
F10 P00742 4/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
PPARG P37231 1/20 0.33
F2 P00734 3/20 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
SCHEMBL4811451 0.92 SLC22A12 (0.41) SLC22A12MCL1BADMAPTKDM4E
SCHEMBL4814925 0.85 PLA2G4A (0.40) SLC22A12MCL1BADPLA2G4ALTB4R
SCHEMBL4814585 0.85 SLC22A12 (0.48) SLC22A12MCL1BADF10F2
SCHEMBL4813787 0.85 KDM4E (0.46) SLC22A12MAPTTP53KDM4EALDH1A1
SCHEMBL4813962 0.85 KMT2A (0.38) SLC22A12MCL1BADMAPTALDH1A1
SCHEMBL4815488 0.84 SLC22A12 (0.42) SLC22A12PLA2G4AF10F2PRSS1
SCHEMBL4810862 0.84 SLC22A12 (0.42) SLC22A12MAPTPLA2G4ALTB4RKDM4E
SCHEMBL4808748 0.83 ALDH1A1 (0.43) SLC22A12MCL1BADMAPTPLA2G4A
SCHEMBL4812974 0.83 TDP1 (0.40) SLC22A12MAPTKDM4EALDH1A1HSD17B10
SCHEMBL4809607 0.81 SLC22A12 (0.37) SLC22A12F10F2PRSS1PLG

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 4383/4885MCL1 4055/4885BAD 3745/4885

“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.