SCHEMBL13490189

SCHEMBL13490189

O=C(Nc1ccc2ccccc2c1)C(c1csc2ccc(C3=CCCC=C3)cc12)P(=O)(O)O

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 18/20 0.65
PRSS1 P07477 1/20 0.65
PRSS2 P07478 1/20 0.65
CTSG P08311 1/20 0.65
PRSS3 P35030 1/20 0.65
KDR P35968 1/20 0.36
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
HTR1E P28566 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
S1PR3 Q99500 1/20 0.34

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
SCHEMBL409986 0.84 CMA1 (0.77) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL3654773 0.80 CMA1 (1.00) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL404228 0.79 CMA1 (1.00) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL999231 0.79 CMA1 (0.78) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL409547 0.79 CMA1 (0.78) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL23752344 0.79 CMA1 (1.00) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL13009082 0.79 CMA1 (0.78) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL31476750 0.79 CMA1 (1.00) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL998105 0.79 CMA1 (0.78) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL998748 0.73 CMA1 (0.78) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048513-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2010-02-25 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 (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-20100048513-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 CMA1 1/4885PRSS1 5/4885PRSS2 20/4885

“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.