Sugi Predict

Sugi Predict / Compounds / SCHEMBL10197938

SCHEMBL10197938

SCHEMBL10197938

O=C(NC(=O)C(Cl)(Cl)Cl)OC(C(=O)Nc1ccc2ccccc2c1)c1csc2ccc(Cl)cc12

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 14/20 0.64
▸ PRSS1 P07477 1/20 0.64
▸ PRSS2 P07478 1/20 0.64
▸ CTSG P08311 1/20 0.64
▸ PRSS3 P35030 1/20 0.64
▸ MEN1 O00255 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ GRIK1 P39086 1/20 0.38
▸ GRIK2 Q13002 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ UTS2R Q9UKP6 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37

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
SCHEMBL8289102 0.85 CMA1 (0.70) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL10197824 0.85 CMA1 (0.43) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL13490146 0.81 CMA1 (0.39) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL8289101 0.80 CMA1 (0.77) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL408957 0.79 CMA1 (0.73) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL13009530 0.79 CMA1 (0.76) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL4135547 0.78 CMA1 (0.71) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL23752344 0.78 CMA1 (1.00) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL407665 0.78 CMA1 (0.74) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL404228 0.78 CMA1 (1.00) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546358-B2 Method of treating asthma JANSSEN PHARMACEUTICA NV (BE) 2013-10-01 — — US disclosed
US-8546358-B2 Method of treating asthma JANSSEN PHARMACEUTICA NV (BE) 2013-10-01 — — US disclosed
US-20120022022-A1 NOVEL INHIBITORS OF CHYMASE HAWKINS MICHAEL J (US) 2012-01-26 — — US disclosed
US-20100048513-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2010-02-25 — — US disclosed
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-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

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

For each of this compound's patents that has machine-readable text (3 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
US-20120022022-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.