SCHEMBL176872

SCHEMBL176872

Cc1cc(C)c(S(=O)(=O)O)cc1N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CA2 P00918 6/20 0.41
CA1 P00915 5/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
KMT2A Q03164 1/20 0.36
PYGL P06737 1/20 0.35
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
KEAP1 Q14145 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
SCHEMBL176892 0.81 L3MBTL1 (0.59) CASRL3MBTL1CA2CA1MMP2
SCHEMBL176806 0.77 MMP9 (0.45) L3MBTL1CA2CA1MMP2MMP9
SCHEMBL15909588 0.77 L3MBTL1 (0.45) L3MBTL1CA2CA1MMP2MMP9
SCHEMBL177076 0.76 CASR (0.53) CASRL3MBTL1CA2CA1MMP2
SCHEMBL2521890 0.75 MMP9 (0.46) CASRL3MBTL1CA2CA1MMP2
SCHEMBL177121 0.75 CASR (0.55) CASRL3MBTL1CA2CA1MMP2
SCHEMBL177093 0.75 CASR (0.55) CASRL3MBTL1CA2CA1MMP2
SCHEMBL28711052 0.73 KMT2A (0.50) L3MBTL1CA2CA1MMP2MMP9
SCHEMBL176845 0.72 CA2 (0.51) CASRL3MBTL1CA2CA1MMP2
SCHEMBL176825 0.72 CA2 (0.47) CASRL3MBTL1CA2CA1MMP2

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 1/4885L3MBTL1 4465/4885CA2 153/4885
US-20140303122-A1 CASR AGONISTS CASR, GIPR, GRIK5 CASR 1/4885L3MBTL1 4696/4885CA2 281/4885
US-20130102570-A1 PROPHYLACTIC AGENT OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY GPR119, GIPR, CASR CASR 3/4885L3MBTL1 4525/4885CA2 147/4885
US-20110251418-A1 CASR AGONISTS CASR, GIPR, GRIK5 CASR 1/4885L3MBTL1 4696/4885CA2 281/4885

“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.