SCHEMBL13489649

SCHEMBL13489649

CCOP(C)(=O)C(C(=O)Nc1ccc2ccccc2c1)c1c(C(=O)OC(C)(C)C)sc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 13/20 0.46
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
CTSG P08311 1/20 0.40
PRSS3 P35030 1/20 0.40
EPHX2 P34913 1/20 0.39
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
DHODH Q02127 1/20 0.36
SENP5 Q96HI0 1/20 0.36
SENP2 Q9HC62 1/20 0.36
SENP1 Q9P0U3 1/20 0.36

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
SCHEMBL10260556 0.89 CMA1 (0.50) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL10260371 0.79 PRSS12 (0.43) CMA1EPHX2
SCHEMBL999165 0.75 CMA1 (0.60) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL1000593 0.73 CMA1 (0.54) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL13489647 0.69 MAPT (0.40) MAPTTP53RXFP1
SCHEMBL998624 0.68 CMA1 (0.46) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL404207 0.66 CMA1 (0.48) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL12911201 0.65 CMA1 (0.72) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL10198032 0.65 LMNA (0.42) MAPTRXFP1
SCHEMBL999164 0.64 CMA1 (0.44) CMA1MAPTNPC1POLBRAB9A

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 3 patents. 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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
US-20090036409-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.