SCHEMBL436836

SCHEMBL436836

O=C(Nc1cc2ccccc2cc1CNC1CCN(C(=O)c2ccccc2)CC1)C(c1cccc2ccccc12)P(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSG P08311 7/20 0.53
MASP2 O00187 1/20 0.53
CMA1 P23946 4/20 0.48
DRD4 P21917 3/20 0.48
ACP3 P15309 2/20 0.41
CYP2D6 P10635 1/20 0.39
EPHX1 P07099 1/20 0.38
NSD2 O96028 1/20 0.38
TACR1 P25103 1/20 0.38
BACE1 P56817 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1052617 0.87 CMA1 (0.55) CTSGMASP2CMA1ACP3EPHX1
SCHEMBL409081 0.86 CMA1 (0.54) CTSGMASP2CMA1ACP3EPHX1
SCHEMBL1001626 0.85 CMA1 (0.53) CTSGMASP2CMA1ACP3
SCHEMBL1001628 0.80 CMA1 (0.49) CTSGMASP2CMA1ACP3CYP2D6
SCHEMBL461153 0.79 CTSG (0.61) CTSGMASP2CMA1DRD4ACP3
SCHEMBL410155 0.78 CMA1 (0.57) CTSGMASP2CMA1DRD4ACP3
SCHEMBL997555 0.77 CTSG (0.52) CTSGMASP2CMA1ACP3CYP2D6
SCHEMBL997566 0.77 CMA1 (0.58) CTSGMASP2CMA1ACP3
SCHEMBL436837 0.77 DRD4 (0.44) CTSGMASP2DRD4EPHX1NSD2
SCHEMBL13489652 0.75 CMA1 (0.41) CTSGCMA1ACP3EPHX1BACE1

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 14 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
US-20090124801-A1 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-14 US 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 CTSG 36/4885MASP2 40/4885CMA1 1/4885
US-20050176769-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 CTSG 36/4885MASP2 40/4885CMA1 1/4885
US-20090036409-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 CTSG 36/4885MASP2 40/4885CMA1 1/4885
US-20090124801-A1 Process for synthesizing phosphonic and phosphinic acid compounds CMA1, PPA1, CPN1 CTSG 166/4885MASP2 553/4885CMA1 1/4885
US-20120022022-A1 NOVEL INHIBITORS OF CHYMASE CMA1, SERPINB1, TPSAB1 CTSG 36/4885MASP2 40/4885CMA1 1/4885
US-20120259130-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS CMA1, PPA1, CPN1 CTSG 166/4885MASP2 553/4885CMA1 1/4885

“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.