SCHEMBL4142801

SCHEMBL4142801

COc1ccccc1/C=C/NC(=O)C(c1csc2ccc(Cl)cc12)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 16/20 0.52
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
CTSG P08311 1/20 0.39
PRSS3 P35030 1/20 0.39
ANO1 Q5XXA6 1/20 0.34
MAPT P10636 2/20 0.34
THRB P10828 1/20 0.34
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4142809 1.00 CMA1 (0.52) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL4135344 0.94 CMA1 (0.50) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL4135354 0.94 CMA1 (0.50) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL4140699 0.92 CMA1 (0.54) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL4140716 0.92 CMA1 (0.54) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL3702585 0.90 CMA1 (0.53) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL3702591 0.90 CMA1 (0.53) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL999468 0.88 CMA1 (0.51) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL999471 0.88 CMA1 (0.51) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL4131062 0.88 CMA1 (0.55) 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.