SCHEMBL12314992

SCHEMBL12314992

COP(C)(=O)C(C(=O)N/C=C/c1ccc(F)c(F)c1)c1csc2ccc(Cl)cc12

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 17/20 0.82
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
CTSG P08311 1/20 0.41
PRSS3 P35030 1/20 0.41
KCNA3 P22001 1/20 0.33
MAPT P10636 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
SCHEMBL12314993 0.92 CMA1 (0.80) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL3141528 0.91 CMA1 (0.78) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL14706592 0.91 CMA1 (0.78) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL3141532 0.91 CMA1 (0.78) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL998237 0.90 CMA1 (1.00) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL998241 0.90 CMA1 (1.00) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL409979 0.89 CMA1 (0.75) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL409980 0.89 CMA1 (0.75) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL12315027 0.89 CMA1 (0.71) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL999159 0.88 CMA1 (1.00) CMA1PRSS1PRSS2CTSGPRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131401-A1 PROCESS FOR THE PREPARATION OF CHYMASE MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2013-05-23 US disclosed
US-20130131401-A1 PROCESS FOR THE PREPARATION OF CHYMASE MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2013-05-23 US disclosed
US-8378122-B2 Process for the preparation of chymase modulators JANSSEN PHARMACEUTICA NV. (BE) 2013-02-19 US disclosed
US-20120309986-A1 PROCESS FOR THE PREPARATION OF CHYMASE MODULATORS ANZALONE LUIGI (US) 2012-12-06 US disclosed
US-8263785-B2 Process for the preparation of chymase modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-09-11 US disclosed
US-20100145075-A1 PROCESS FOR THE PREPARATION OF CHYMASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-10 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 (3 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-20130131401-A1 PROCESS FOR THE PREPARATION OF CHYMASE MODULATORS CMA1, SERPINB1, CPA3 CMA1 1/4885PRSS1 4/4885PRSS2 22/4885
US-20120309986-A1 PROCESS FOR THE PREPARATION OF CHYMASE MODULATORS CMA1, SERPINB1, CPA3 CMA1 1/4885PRSS1 4/4885PRSS2 22/4885
US-20100145075-A1 PROCESS FOR THE PREPARATION OF CHYMASE MODULATORS CMA1, SERPINB1, CPA3 CMA1 1/4885PRSS1 4/4885PRSS2 22/4885

“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.