SCHEMBL4131054

SCHEMBL4131054

CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)C(C(=O)N/C=C/c1cc(F)ccc1F)c1csc2ccc(Cl)cc12

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 17/20 0.55
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
CTSG P08311 1/20 0.37
PRSS3 P35030 1/20 0.37
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
CASP3 P42574 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4131062 1.00 CMA1 (0.55) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL998176 0.97 CMA1 (0.55) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL998173 0.97 CMA1 (0.55) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL4135534 0.95 CMA1 (0.54) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL4135544 0.95 CMA1 (0.54) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL998930 0.94 CMA1 (0.55) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL997597 0.91 CMA1 (0.57) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL999032 0.90 CMA1 (0.51) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL999028 0.90 CMA1 (0.51) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL1000031 0.90 CMA1 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222431-B2 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-07-17 US claimed
US-20090124801-A1 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-14 US claimed

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-20090124801-A1 Process for synthesizing phosphonic and phosphinic acid compounds CMA1, PPA1, CPN1 CMA1 1/4885PRSS1 72/4885PRSS2 127/4885

“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.