SCHEMBL942773

SCHEMBL942773

COc1cccc2c(C(C(=O)Nc3ccc4ccccc4c3)P(=O)(O)O)coc12

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 11/20 0.69
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
CTSG P08311 1/20 0.48
PRSS3 P35030 1/20 0.48
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CASP3 P42574 2/20 0.45
SENP7 Q9BQF6 2/20 0.45
NQO2 P16083 1/20 0.45
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
SENP8 Q96LD8 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL941590 0.93 CMA1 (0.64) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL942799 0.82 CMA1 (1.00) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL942718 0.81 CMA1 (0.77) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL943069 0.81 CMA1 (0.77) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL943229 0.81 CMA1 (0.62) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL941589 0.81 CMA1 (0.45) CMA1NPC1RAB9AMEN1KMT2A
SCHEMBL943287 0.78 CMA1 (0.69) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL945311 0.78 CMA1 (0.65) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL4135674 0.77 CMA1 (1.00) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL942511 0.77 CMA1 (0.80) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872044-B2 (thio)amide benzofuran compounds containing phosphonic, phosphinic, sulfonic, sulfamic, or carboxy acid groups; for example [benzofuran-3-yl-(naphthalen-2-ylcarbamoyl)-methyl]-phosphonic acid; treating inflammatory or serine protease mediated disorders such as allergic rhinitis, asthma and heart failure JANSSEN PHARMACEUTICA NV (BE) 2011-01-18 US claimed
EP-2097399-A2 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-09 EP claimed
US-20080096844-A1 Novel inhibitors of chymase JANSSEN PHARMACEUTICA, N.V. (BE) 2008-04-24 US claimed
WO-2008048668-A2 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA, N.V. (BE) 2008-04-24 WO claimed
US-7872044-B2 (thio)amide benzofuran compounds containing phosphonic, phosphinic, sulfonic, sulfamic, or carboxy acid groups; for example [benzofuran-3-yl-(naphthalen-2-ylcarbamoyl)-methyl]-phosphonic acid; treating inflammatory or serine protease mediated disorders such as allergic rhinitis, asthma and heart failure JANSSEN PHARMACEUTICA NV (BE) 2011-01-18 US disclosed
US-7872044-B2 (thio)amide benzofuran compounds containing phosphonic, phosphinic, sulfonic, sulfamic, or carboxy acid groups; for example [benzofuran-3-yl-(naphthalen-2-ylcarbamoyl)-methyl]-phosphonic acid; treating inflammatory or serine protease mediated disorders such as allergic rhinitis, asthma and heart failure JANSSEN PHARMACEUTICA NV (BE) 2011-01-18 US disclosed
EP-2097399-A2 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-09 EP disclosed
US-20080096844-A1 Novel inhibitors of chymase JANSSEN PHARMACEUTICA, N.V. (BE) 2008-04-24 US disclosed
US-20080096844-A1 Novel inhibitors of chymase JANSSEN PHARMACEUTICA, N.V. (BE) 2008-04-24 US disclosed
US-20080096844-A1 Novel inhibitors of chymase JANSSEN PHARMACEUTICA, N.V. (BE) 2008-04-24 US disclosed
WO-2008048668-A2 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA, N.V. (BE) 2008-04-24 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 (1 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-20080096844-A1 Novel inhibitors of chymase CMA1, SERPINB1, PRSS1 CMA1 1/4885PRSS1 3/4885PRSS2 12/4885

“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.