SCHEMBL6163777

SCHEMBL6163777

CS(=O)(=O)N[C@@H](Cc1cccc(C#N)c1)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.47
FOLH1 Q04609 1/20 0.44
EPHX1 P07099 1/20 0.44
NLRP3 Q96P20 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
GLA P06280 1/20 0.42
USP30 Q70CQ3 1/20 0.42
ADAMTS4 O75173 2/20 0.41
MMP13 P45452 1/20 0.41
MEP1A Q16819 1/20 0.41
MEP1B Q16820 1/20 0.41
MAPK8 P45983 1/20 0.41
DPP7 Q9UHL4 3/20 0.41
DPP4 P27487 2/20 0.41
FAP Q12884 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
NR3C1 P04150 1/20 0.41
PIN1 Q13526 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
SCHEMBL16886884 0.80 CYP3A4 (0.57) EPHX1CYP3A4CYP2C19ADAMTS4ITGB3
SCHEMBL5313228 0.80 CYP3A4 (0.57) EPHX1CYP3A4CYP2C19ADAMTS4ITGB3
SCHEMBL16886887 0.80 CYP3A4 (0.57) EPHX1CYP3A4CYP2C19ADAMTS4ITGB3
SCHEMBL8530291 0.78 ERCC1 (0.45) FOLH1EPHX1NLRP3MEP1AMEP1B
SCHEMBL10442382 0.78 FOLH1 (0.49) CNR1FOLH1EPHX1NLRP3GLA
SCHEMBL25240858 0.78 MMP2 (0.50) USP30MMP13ITGAV
SCHEMBL30447082 0.78 MMP2 (0.50) USP30MMP13ITGAV
SCHEMBL6161572 0.78 USP30 (0.45) CNR1USP30ADAMTS4MMP13MAPK8
SCHEMBL6164303 0.76 CTSS (0.58) NLRP3
SCHEMBL25419654 0.76 CTSS (0.58) NLRP3

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 CNR1 481/4885FOLH1 787/4885EPHX1 797/4885

“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.