SCHEMBL7108632

SCHEMBL7108632

CCOC(=O)c1cn(Cc2cccc(C#N)c2)cc1-c1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.39
POLB P06746 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
ALOX5AP P20292 6/20 0.37
FEN1 P39748 6/20 0.37
KCNA5 P22460 1/20 0.36
F10 P00742 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
ELANE P08246 1/20 0.36
P2RY12 Q9H244 1/20 0.36
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
MMP3 P08254 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
SCHEMBL7105798 0.92 POLB (0.37) RXFP1POLBFNTAFNTBTLR8
SCHEMBL6178561 0.85 KCNA5 (0.36) FNTAFNTBALOX5APFEN1KCNA5
SCHEMBL6163480 0.84 POLB (0.44) RXFP1POLBFNTAFNTBTLR8
SCHEMBL7105111 0.83 F2RL3 (0.45) RXFP1POLBFNTAFNTBTLR8
SCHEMBL7103244 0.82 CYP19A1 (0.44) RXFP1POLBFNTAFNTBTLR8
SCHEMBL7107442 0.81 AGTR2 (0.37) RXFP1POLBTLR8TLR7P2RY12
SCHEMBL7102321 0.81 POLB (0.43) RXFP1POLBFNTAFNTBELANE
SCHEMBL6468248 0.81 F10 (0.43) ALOX5APFEN1KCNA5F10MMP3
SCHEMBL7100618 0.80 POLB (0.44) RXFP1POLBFNTAFNTBTLR8
SCHEMBL6238920 0.79 MAPK14 (0.47) RXFP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI RXFP1 1251/4885POLB 3482/4885FNTA 654/4885

“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.