SCHEMBL404207

SCHEMBL404207

CP(=O)(O)C(C(=O)Nc1ccc2ccccc2c1)c1c(C(=O)N2CCC(c3ccccc3)CC2)sc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 10/20 0.48
PRSS12 P56730 6/20 0.46
TRPC3 Q13507 1/20 0.41
TRPC6 Q9Y210 1/20 0.41
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
CTSG P08311 1/20 0.40
PRSS3 P35030 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
HTR1E P28566 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
S1PR3 Q99500 1/20 0.39
MAPK14 Q16539 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL4132750 0.94 PRSS12 (0.50) CMA1PRSS12TRPC3TRPC6PRSS1
SCHEMBL998620 0.94 PRSS12 (0.48) CMA1PRSS12PRSS1PRSS2CTSG
SCHEMBL10260371 0.89 PRSS12 (0.43) CMA1PRSS12TRPC3TRPC6MEN1
SCHEMBL998624 0.83 CMA1 (0.46) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL999165 0.82 CMA1 (0.60) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL4132747 0.78 PRSS12 (0.47) PRSS12TRPC3TRPC6MEN1KMT2A
SCHEMBL1000593 0.78 CMA1 (0.54) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL4139599 0.77 PRSS12 (0.45) CMA1PRSS12MEN1LMNAHTR1E
SCHEMBL13952745 0.76 CMA1 (0.42) CMA1TRPC3TRPC6PRSS1PRSS2
SCHEMBL10260556 0.71 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 24 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-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
EP-2211867-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS Janssen Pharmaceutica N.V. (BE) 2010-08-04 EP disclosed
WO-2009051746-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO 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
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
US-20050176769-A1 Novel inhibitors of chymase JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-11 US 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-20050176769-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 CMA1 1/4885PRSS12 87/4885TRPC3 3136/4885
US-20090036409-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 CMA1 1/4885PRSS12 87/4885TRPC3 3136/4885
US-20090124801-A1 Process for synthesizing phosphonic and phosphinic acid compounds CMA1, PPA1, CPN1 CMA1 1/4885PRSS12 563/4885TRPC3 4652/4885
US-20120022022-A1 NOVEL INHIBITORS OF CHYMASE CMA1, SERPINB1, TPSAB1 CMA1 1/4885PRSS12 87/4885TRPC3 3136/4885
US-20120259130-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS CMA1, PPA1, CPN1 CMA1 1/4885PRSS12 563/4885TRPC3 4652/4885

“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.