SCHEMBL405429

SCHEMBL405429

O=C(/C=C/c1cc2ccccc2cc1NC(=O)C(c1cccc2ccccc12)P(=O)(O)O)NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 6/20 0.53
ACP3 P15309 3/20 0.48
CTSG P08311 5/20 0.46
KDM4E B2RXH2 1/20 0.42
GSK3B P49841 1/20 0.42
MMP1 P03956 4/20 0.41
MMP2 P08253 4/20 0.41
MMP9 P14780 4/20 0.41
SENP1 Q9P0U3 2/20 0.41
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL405430 1.00 CMA1 (0.53) CMA1ACP3CTSGKDM4EGSK3B
SCHEMBL13489660 0.88 CMA1 (0.41) CMA1ACP3CTSGKDM4EGSK3B
SCHEMBL409905 0.82 CMA1 (0.59) CMA1ACP3CTSGKDM4EGSK3B
SCHEMBL997566 0.80 CMA1 (0.58) CMA1ACP3CTSGKDM4EGSK3B
SCHEMBL408723 0.78 CMA1 (0.53) CMA1ACP3CTSGKDM4EGSK3B
SCHEMBL13489656 0.76 CMA1 (0.45) CMA1ACP3CTSGKDM4E
SCHEMBL407877 0.76 CMA1 (0.58) CMA1ACP3CTSG
SCHEMBL4140309 0.76 CMA1 (0.67) CMA1ACP3CTSG
SCHEMBL1001231 0.75 CMA1 (0.70) CMA1ACP3CTSGMMP2MMP9
SCHEMBL998827 0.74 CMA1 (0.68) CMA1ACP3CTSGMMP2MMP9

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
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-8546358-B2 Method of treating asthma JANSSEN PHARMACEUTICA NV (BE) 2013-10-01 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-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-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
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
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 1/4885ACP3 770/4885CTSG 36/4885
US-20050176769-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 CMA1 1/4885ACP3 770/4885CTSG 36/4885
US-20090036409-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 CMA1 1/4885ACP3 770/4885CTSG 36/4885
US-20090124801-A1 Process for synthesizing phosphonic and phosphinic acid compounds CMA1, PPA1, CPN1 CMA1 1/4885ACP3 64/4885CTSG 166/4885
US-20120022022-A1 NOVEL INHIBITORS OF CHYMASE CMA1, SERPINB1, TPSAB1 CMA1 1/4885ACP3 770/4885CTSG 36/4885

“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.