SCHEMBL176877

SCHEMBL176877

COc1c(NC(=O)OC[C@H](N)C(=O)O)cc(Cl)cc1S(=O)(=O)O

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CASR P41180 19/20 0.51
ACLY P53396 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
SCHEMBL6005143 0.85 CASR (0.67) CASR
SCHEMBL14877427 0.85 CASR (0.67) CASR
SCHEMBL176932 0.84 CASR (0.66) CASR
SCHEMBL176931 0.77 CASR (0.54) CASR
SCHEMBL14471566 0.76 CASR (0.64) CASR
SCHEMBL14471538 0.75 CASR (0.69) CASRACLY
SCHEMBL2527127 0.73 CASR (0.54) CASR
SCHEMBL177362 0.73 CASR (0.69) CASR
SCHEMBL10168514 0.73 CASR (0.42) CASR
SCHEMBL14471569 0.73 CASR (0.66) CASRACLY

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2345636-B1 CASR AGONIST AJINOMOTO KK (JP) 2016-03-30 EP disclosed
US-9174932-B2 CaSR agonists AJINOMOTO CO., INC. (JP) 2015-11-03 US disclosed
US-9000208-B2 Glutamate derivatives or salts thereof AJINOMOTO CO., INC. (JP) 2015-04-07 US disclosed
US-8877739-B2 Prophylactic agent or therapeutic agent for diabetes or obesity AJINOMOTO CO., INC. (JP) 2014-11-04 US disclosed
US-20140303122-A1 CASR AGONISTS AJINOMOTO CO., INC. (JP) 2014-10-09 US disclosed
US-8796485-B2 CaSR agonists AJINOMOTO CO., INC. (JP) 2014-08-05 US disclosed
US-20130102570-A1 PROPHYLACTIC AGENT OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY AJINOMOTO CO., INC. (JP) 2013-04-25 US disclosed
EP-2554165-A1 PROPHYLACTIC AGENT OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY Ajinomoto Co., Inc. (JP) 2013-02-06 EP disclosed
EP-2551262-A1 GLUTAMATE DERIVATIVES OR SALTS THEREOF Ajinomoto Co., Inc. (JP) 2013-01-30 EP disclosed
US-20130017603-A1 GLUTAMATE DERIVATIVES OR SALTS THEREOF AJINOMOTO CO., INC. (JP) 2013-01-17 US disclosed
US-20110251418-A1 CASR AGONISTS AJINOMOTO CO., INC. (JP) 2011-10-13 US disclosed
EP-2345636-A1 CASR AGONIST Ajinomoto Co., Inc. (JP) 2011-07-20 EP 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 (4 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-20130017603-A1 GLUTAMATE DERIVATIVES OR SALTS THEREOF CASR, GIPR, GRPR CASR 1/4885ACLY 2573/4885
US-20140303122-A1 CASR AGONISTS CASR, GIPR, GRIK5 CASR 1/4885ACLY 3119/4885
US-20130102570-A1 PROPHYLACTIC AGENT OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY GPR119, GIPR, CASR CASR 3/4885ACLY 2447/4885
US-20110251418-A1 CASR AGONISTS CASR, GIPR, GRIK5 CASR 1/4885ACLY 3119/4885

“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.