SCHEMBL3655642

SCHEMBL3655642

COc1cc(/C=C/NC(=O)C(c2csc3ccc(Cl)cc23)P(=O)(O)O)cc(OC)c1

nearest known ligand 0.86

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 18/20 0.86
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
CTSG P08311 1/20 0.54
PRSS3 P35030 1/20 0.54
ABL1 P00519 1/20 0.37
ABCB1 P08183 1/20 0.37
BCR P11274 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL3655646 1.00 CMA1 (0.86) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL4148348 0.94 CMA1 (0.76) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL4148341 0.94 CMA1 (0.76) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL4130292 0.93 CMA1 (1.00) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL4130282 0.93 CMA1 (1.00) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL997639 0.92 CMA1 (0.82) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL997641 0.92 CMA1 (0.82) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL3141646 0.88 CMA1 (0.83) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL3141657 0.88 CMA1 (0.83) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL4135356 0.87 CMA1 (0.80) 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
CN-101827599-B Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA NV 2013-08-28 CN claimed
US-8222431-B2 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-07-17 US claimed
CN-101827599-A Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA NV 2010-09-08 CN claimed
US-20090124801-A1 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-14 US claimed
US-20120259130-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS ANZALONE LUIGI (US) 2012-10-11 US disclosed
US-8222431-B2 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-07-17 US disclosed
EP-2211867-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS Janssen Pharmaceutica N.V. (BE) 2010-08-04 EP disclosed
US-20090124801-A1 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-14 US disclosed
WO-2009051746-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO 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 (2 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
US-20120259130-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.