SCHEMBL6166094

SCHEMBL6166094

CS(=O)(=O)c1ccccc1-c1ccc(C2(C(N)=O)CC2c2cccc(C#N)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.37
NAMPT P43490 3/20 0.35
PRSS1 P07477 3/20 0.34
MAPK14 Q16539 1/20 0.34
GPR88 Q9GZN0 2/20 0.34
EPAS1 Q99814 2/20 0.33
LRRK2 Q5S007 1/20 0.33
PAX8 Q06710 1/20 0.33
CYP11B2 P19099 1/20 0.33
SCN9A Q15858 1/20 0.33
CHRM1 P11229 1/20 0.33
F2 P00734 2/20 0.33
ARNT P27540 1/20 0.33
F11 P03951 1/20 0.32
F7 P08709 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 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
SCHEMBL6165556 0.91 F10 (0.43) F10PRSS1SCN9A
SCHEMBL6162233 0.88 ALOX5AP (0.40) F10
SCHEMBL6167086 0.85 ESR2 (0.39) MAPK14GPR88SCN9A
SCHEMBL6163520 0.84 F10 (0.48) F10PRSS1F2PRSS2PRSS3
SCHEMBL6165684 0.82 F10 (0.43) F10PRSS1F2PRSS2PRSS3
SCHEMBL6162237 0.79 MAPK14 (0.34) F10MAPK14
SCHEMBL6164991 0.77 F10 (0.44) F10PRSS1F2PRSS2PRSS3
SCHEMBL7100220 0.76 CA1 (0.34)
SCHEMBL6164335 0.75 F10 (0.56) F10PRSS1PRSS2PRSS3
SCHEMBL7101294 0.75 F10 (0.45) F10PRSS1SCN9AF2PRSS2

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 11/4885NAMPT 348/4885PRSS1 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.