SCHEMBL407328

SCHEMBL407328

C=CN(C(=O)C(c1csc2ccc(Cl)cc12)P(C)(=O)O)c1ccccc1O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 16/20 0.54
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
CTSG P08311 1/20 0.45
PRSS3 P35030 1/20 0.45
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
CYP2A6 P11509 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
SCHEMBL3653787 0.91 CMA1 (0.55) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL4126936 0.91 CMA1 (0.54) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL999890 0.90 CMA1 (0.53) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL3654878 0.90 CMA1 (0.53) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL407844 0.90 CMA1 (0.53) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL3657270 0.88 CMA1 (0.51) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL998148 0.87 CMA1 (0.51) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL404214 0.87 CMA1 (0.53) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL999173 0.87 CMA1 (0.50) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL4141854 0.87 CMA1 (0.50) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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-7459444-B2 Inhibitors of chymase JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-02 US disclosed
EP-1716160-A2 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-02 EP disclosed
US-20050176769-A1 Novel inhibitors of chymase JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-11 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 (6 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-20050176769-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.