SCHEMBL6162237

SCHEMBL6162237

Cc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2ccc(C3(C(N)=O)CC3c3cccc(C#N)c3)cc2)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.34
USP30 Q70CQ3 1/20 0.34
ALOX5AP P20292 4/20 0.33
FEN1 P39748 4/20 0.33
TBXA2R P21731 3/20 0.33
GRM2 Q14416 1/20 0.33
PSMB8 P28062 1/20 0.32
PSMB5 P28074 1/20 0.32
MCHR1 Q99705 1/20 0.32
GRIN2B Q13224 1/20 0.31
CFTR P13569 2/20 0.31
CACNA1F O60840 1/20 0.31
CACNA1D Q01668 1/20 0.31
CACNA1S Q13698 1/20 0.31
CACNA1C Q13936 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
ABL1 P00519 1/20 0.31
F10 P00742 1/20 0.31

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
SCHEMBL6162233 0.91 ALOX5AP (0.40) USP30ALOX5APFEN1F10
SCHEMBL6166094 0.79 F10 (0.37) MAPK14F10
SCHEMBL6165556 0.78 F10 (0.43) F10
SCHEMBL6162195 0.76 SCN3A (0.40) USP30F10
SCHEMBL6167709 0.76 SCN3A (0.40) USP30F10
SCHEMBL6167086 0.76 ESR2 (0.39) MAPK14USP30ABL1
SCHEMBL6162862 0.74 F10 (0.48) F10
SCHEMBL6162868 0.73 F10 (0.34) F10
SCHEMBL6166689 0.72 CSNK1E (0.41) ALOX5APFEN1GRM2F10
SCHEMBL7100220 0.68 CA1 (0.34) CACNA1FCACNA1DCACNA1SCACNA1C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO 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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI MAPK14 2433/4885USP30 4394/4885ALOX5AP 680/4885

“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.