SCHEMBL943754

SCHEMBL943754

CP(=O)(O)C(C(=O)Nc1ccc2ccccc2c1)c1coc2c(Br)cc(Br)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 13/20 0.60
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
CTSG P08311 1/20 0.42
PRSS3 P35030 1/20 0.42
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 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
SCHEMBL943287 0.92 CMA1 (0.69) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL942384 0.87 CMA1 (0.59) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL941826 0.85 CMA1 (0.67) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL943095 0.85 CMA1 (0.56) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL942504 0.82 CMA1 (0.83) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL945311 0.82 CMA1 (0.65) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL941590 0.80 CMA1 (0.64) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL943229 0.79 CMA1 (0.62) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL943753 0.79 CMA1 (0.44) CMA1RAB9ANPC1POLBSMN1; SMN2
SCHEMBL944662 0.78 CMA1 (0.69) 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.