SCHEMBL6178561

SCHEMBL6178561

CCOC(=O)c1cn(Cc2cc(C#N)ccc2OC(C)(C)C)cc1-c1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
ALOX5AP P20292 6/20 0.34
FEN1 P39748 6/20 0.34
GPR119 Q8TDV5 1/20 0.34
TBXA2R P21731 1/20 0.34
P2RY12 Q9H244 1/20 0.33

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
SCHEMBL7108632 0.85 RXFP1 (0.39) KCNA5FNTAFNTBALOX5APFEN1
SCHEMBL6166428 0.84 CNR1 (0.36) FNTAFNTBPTGS1PTGS2TBXA2R
SCHEMBL7105798 0.78 POLB (0.37) FNTAFNTBGPR119P2RY12
SCHEMBL6468248 0.72 F10 (0.43) KCNA5ALOX5APFEN1
SCHEMBL6163789 0.69 ALOX5 (0.38) ALOX5APFEN1GPR119
SCHEMBL6163480 0.69 POLB (0.44) FNTAFNTBPTGS1PTGS2
SCHEMBL7107442 0.68 AGTR2 (0.37) TBXA2RP2RY12
SCHEMBL7105111 0.67 F2RL3 (0.45) FNTAFNTB
SCHEMBL6165250 0.67 FNTA (0.51) FNTAFNTB
SCHEMBL7103244 0.67 CYP19A1 (0.44) FNTAFNTB

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 KCNA5 3170/4885FNTA 654/4885FNTB 1197/4885

“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.