SCHEMBL998684

SCHEMBL998684

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

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 17/20 0.70
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
CTSG P08311 1/20 0.38
PRSS3 P35030 1/20 0.38
KCNA3 P22001 1/20 0.31

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
SCHEMBL3391289 0.93 CMA1 (0.69) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL3391294 0.93 CMA1 (0.69) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL7908643 0.93 CMA1 (0.71) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL999504 0.92 CMA1 (0.73) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL1000031 0.91 CMA1 (0.56) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL7900120 0.91 CMA1 (0.61) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL998292 0.90 CMA1 (0.70) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL998914 0.89 CMA1 (0.55) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL997642 0.89 CMA1 (0.69) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL3127647 0.89 CMA1 (0.69) 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011500682-A 2011-01-06 JP claimed
US-8546358-B2 Method of treating asthma JANSSEN PHARMACEUTICA NV (BE) 2013-10-01 US disclosed
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-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-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-8263785-B2 Process for the preparation of chymase modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-09-11 US disclosed
US-20100048513-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2010-02-25 US disclosed
US-20100048513-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2010-02-25 US disclosed
US-20090036409-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2009-02-05 US disclosed
US-20090036409-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2009-02-05 US disclosed
US-7459444-B2 Inhibitors of chymase JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-02 US disclosed
US-7459444-B2 Inhibitors of chymase JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-02 US disclosed
WO-2008051489-A2 SALT FORMS OF SUBSTITUTED BENZOTHIENYL COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-05-02 WO disclosed
US-20080097110-A1 Salt forms of substituted benzothienyl compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2008-04-24 US disclosed
US-20080097110-A1 Salt forms of substituted benzothienyl compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2008-04-24 US disclosed
WO-2005073214-A2 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-11 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 (5 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-20100048513-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 CMA1 1/4885PRSS1 5/4885PRSS2 20/4885
US-20090036409-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 CMA1 1/4885PRSS1 5/4885PRSS2 20/4885
US-20130131401-A1 PROCESS FOR THE PREPARATION OF CHYMASE MODULATORS CMA1, SERPINB1, CPA3 CMA1 1/4885PRSS1 4/4885PRSS2 22/4885
US-20080097110-A1 Salt forms of substituted benzothienyl compounds SLC10A1, REN, SLC10A6 CMA1 1104/4885PRSS1 1753/4885PRSS2 2527/4885
US-20120309986-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.