SCHEMBL6164549

SCHEMBL6164549

CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cccnc2-c2cccc(C#N)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.56
F2 P00734 5/20 0.56
PRSS1 P07477 4/20 0.56
PRSS2 P07478 4/20 0.56
PRSS3 P35030 4/20 0.56
NAMPT P43490 1/20 0.44
LRRK2 Q5S007 1/20 0.43
ALOX5AP P20292 4/20 0.42
FEN1 P39748 4/20 0.42
MAPK14 Q16539 1/20 0.41
TRPV1 Q8NER1 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNN4 O15554 1/20 0.41
KCNA5 P22460 1/20 0.41
GRM4 Q14833 1/20 0.40

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
SCHEMBL6166683 0.91 F10 (0.46) F10F2PRSS1PRSS2PRSS3
SCHEMBL6165044 0.90 F10 (0.46) F10F2PRSS1PRSS2PRSS3
SCHEMBL7389491 0.90 F10 (0.45) F10F2PRSS1PRSS2PRSS3
SCHEMBL6166616 0.89 F10 (0.52) F10PRSS1PRSS2PRSS3NAMPT
SCHEMBL6165511 0.82 F10 (0.46) F10PRSS1PRSS2PRSS3NAMPT
SCHEMBL6171895 0.80 F10 (0.45) F10PRSS1PRSS2PRSS3NAMPT
SCHEMBL6164560 0.80 ALOX5AP (0.45) F10ALOX5APFEN1
SCHEMBL6468248 0.78 F10 (0.43) F10F2PRSS1PRSS2PRSS3
SCHEMBL7104688 0.78 F10 (0.54) F10F2PRSS1PRSS2PRSS3
SCHEMBL6166620 0.77 ALOX5AP (0.44) F10ALOX5APFEN1

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 F10 11/4885F2 1/4885PRSS1 43/4885

“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.