SCHEMBL998352

SCHEMBL998352

O=C(N/C=C/c1ccc(C(F)(F)F)cc1)C(c1csc2ccc(Cl)cc12)P(=O)(O)O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 18/20 0.81
PRSS1 P07477 1/20 0.52
PRSS2 P07478 1/20 0.52
CTSG P08311 1/20 0.52
PRSS3 P35030 1/20 0.52
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
TUBB1 Q9H4B7 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
SCHEMBL998356 1.00 CMA1 (0.81) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL3653104 0.89 CMA1 (1.00) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL3653115 0.89 CMA1 (1.00) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL998974 0.89 CMA1 (0.75) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL998970 0.89 CMA1 (0.75) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL998608 0.88 CMA1 (0.83) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL998606 0.88 CMA1 (0.83) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL1079047 0.87 CMA1 (0.82) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL998861 0.87 CMA1 (0.82) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL998865 0.87 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 10 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
JP-2011500682-A 2011-01-06 JP claimed
CN-101827599-A Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA NV 2010-09-08 CN claimed
EP-2211867-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS Janssen Pharmaceutica N.V. (BE) 2010-08-04 EP claimed
US-20090124801-A1 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-14 US claimed
WO-2009051746-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO 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
US-20090124801-A1 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-14 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 (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.