SCHEMBL7744792

SCHEMBL7744792

O=C(N/C=C/c1ccc([18F])c(F)c1)C(c1csc2ccc(Cl)cc12)P(=O)(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 18/20 1.00
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
CTSG P08311 1/20 0.53
PRSS3 P35030 1/20 0.53
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 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
SCHEMBL999162 1.00 CMA1 (1.00) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL999159 1.00 CMA1 (1.00) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL998999 0.93 CMA1 (0.87) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL998997 0.93 CMA1 (0.87) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL998241 0.92 CMA1 (1.00) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL998237 0.92 CMA1 (1.00) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL3653115 0.91 CMA1 (1.00) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL3653104 0.91 CMA1 (1.00) CMA1PRSS1PRSS2CTSGPRSS3
Choline SCHEMBL4371340 0.91 CMA1 (0.82) CMA1PRSS1PRSS2CTSGPRSS3
Choline SCHEMBL4371344 0.91 CMA1 (0.82) 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-20090169475-A1 RADIOLABELED DERIVATIVES OF POTENT CHYMASE INHIBITORS MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2009-07-02 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 (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-20090169475-A1 RADIOLABELED DERIVATIVES OF POTENT CHYMASE INHIBITORS CMA1, CPA3, CPA1 CMA1 1/4885PRSS1 54/4885PRSS2 89/4885

“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.