SCHEMBL1001741

SCHEMBL1001741

CP(=O)(O)C(C(=O)N/C=C/c1ccccc1N)c1csc2ccc(Cl)cc12

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 19/20 0.76
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
CTSG P08311 1/20 0.48
PRSS3 P35030 1/20 0.48

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
SCHEMBL407843 1.00 CMA1 (0.76) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL3653785 0.91 CMA1 (0.79) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL3653790 0.91 CMA1 (0.79) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL407327 0.90 CMA1 (0.78) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL4126935 0.90 CMA1 (0.78) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL8290983 0.90 CMA1 (0.61) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL4126941 0.90 CMA1 (0.78) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL999748 0.90 CMA1 (0.78) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL3654879 0.89 CMA1 (0.76) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL999891 0.89 CMA1 (0.76) 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101827599-B Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA NV 2013-08-28 CN claimed
US-8222431-B2 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-07-17 US claimed
JP-2011500682-A 2011-01-06 JP claimed
CN-101827599-A Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA NV 2010-09-08 CN claimed
EP-2211867-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS Janssen Pharmaceutica N.V. (BE) 2010-08-04 EP claimed
US-20090124801-A1 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-14 US claimed
WO-2009051746-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO claimed
US-8546358-B2 Method of treating asthma JANSSEN PHARMACEUTICA NV (BE) 2013-10-01 US disclosed
US-20120259130-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS ANZALONE LUIGI (US) 2012-10-11 US disclosed
US-8222431-B2 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-07-17 US disclosed
US-20120022022-A1 NOVEL INHIBITORS OF CHYMASE HAWKINS MICHAEL J (US) 2012-01-26 US disclosed
EP-1716160-B1 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-29 EP disclosed
EP-1716160-B1 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-29 EP disclosed
US-20100048513-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2010-02-25 US disclosed
US-20090124801-A1 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-14 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-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-20090124801-A1 Process for synthesizing phosphonic and phosphinic acid compounds CMA1, PPA1, CPN1 CMA1 1/4885PRSS1 72/4885PRSS2 127/4885
US-20120022022-A1 NOVEL INHIBITORS OF CHYMASE CMA1, SERPINB1, TPSAB1 CMA1 1/4885PRSS1 5/4885PRSS2 20/4885
US-20120259130-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS CMA1, PPA1, CPN1 CMA1 1/4885PRSS1 72/4885PRSS2 127/4885

“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.