SCHEMBL4374288

SCHEMBL4374288

C[N+](C)(C)CCOP(=O)(OCC[N+](C)(C)C)C(C(=O)NC=Cc1cc(Cl)cc(Cl)c1)c1csc2ccc(Cl)cc12

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 17/20 0.61
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
CTSG P08311 1/20 0.40
PRSS3 P35030 1/20 0.40
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32

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
SCHEMBL4375799 0.92 CMA1 (0.63) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL4371345 0.90 CMA1 (0.71) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL12315000 0.86 CMA1 (0.69) CMA1PRSS1PRSS2CTSGPRSS3
Choline SCHEMBL4374284 0.85 CMA1 (0.68) CMA1PRSS1PRSS2CTSGPRSS3
Choline SCHEMBL4374280 0.85 CMA1 (0.68) CMA1PRSS1PRSS2CTSGPRSS3
Choline SCHEMBL4375797 0.85 CMA1 (0.74) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL4136404 0.83 CMA1 (0.60) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL4136397 0.83 CMA1 (0.60) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL3238437 0.83 CMA1 (0.72) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL3136836 0.82 CMA1 (0.87) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081430-A2 SALT FORMS OF SUBSTITUTED BENZOTHIENYL COMPOUNDS Janssen Pharmaceutica, N.V. (BE) 2009-07-29 EP claimed
WO-2008051489-A2 SALT FORMS OF SUBSTITUTED BENZOTHIENYL COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-05-02 WO claimed
US-20080097110-A1 Salt forms of substituted benzothienyl compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2008-04-24 US claimed
EP-2081430-A2 SALT FORMS OF SUBSTITUTED BENZOTHIENYL COMPOUNDS Janssen Pharmaceutica, N.V. (BE) 2009-07-29 EP disclosed
WO-2008051489-A2 SALT FORMS OF SUBSTITUTED BENZOTHIENYL COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-05-02 WO disclosed
US-20080097110-A1 Salt forms of substituted benzothienyl compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2008-04-24 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-20080097110-A1 Salt forms of substituted benzothienyl compounds SLC10A1, REN, SLC10A6 CMA1 1104/4885PRSS1 1753/4885PRSS2 2527/4885

“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.