SCHEMBL176668

SCHEMBL176668

NC(=O)CC[C@H](Nc1cc(S(=O)(=O)O)cc([N+](=O)[O-])c1O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.48
GAA P10253 1/20 0.48
PLCG1 P19174 1/20 0.48
DNMT1 P26358 1/20 0.48
CASP6 P55212 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CA2 P00918 13/20 0.42
CA1 P00915 11/20 0.42
CA9 Q16790 10/20 0.42
CA12 O43570 9/20 0.42
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL176786 0.80 MMP2 (0.39) GAAL3MBTL1CA2CA1MMP2
SCHEMBL176845 0.79 CA2 (0.51) L3MBTL1CA2CA1MMP2MMP9
SCHEMBL14575853 0.76 CA2 (0.53) L3MBTL1CA2CA1MMP2MMP9
SCHEMBL177121 0.74 CASR (0.55) L3MBTL1CA2CA1MMP2MMP9
SCHEMBL20840362 0.74 ALDH1A1 (0.51) GAAL3MBTL1MMP2MMP9ALDH1A1
SCHEMBL20840359 0.74 ALDH1A1 (0.51) GAAL3MBTL1MMP2MMP9ALDH1A1
SCHEMBL27974307 0.74 CRHBP (0.49) GAAL3MBTL1ALDH1A1TDP1
SCHEMBL27974309 0.74 CRHBP (0.49) GAAL3MBTL1ALDH1A1TDP1
SCHEMBL176793 0.73 CASR (0.55) L3MBTL1CA2CA1MMP2MMP9
SCHEMBL177076 0.73 CASR (0.53) L3MBTL1CA2CA1MMP2MMP9

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 NSD2 3800/4885GAA 843/4885PLCG1 994/4885
US-20140303122-A1 CASR AGONISTS CASR, GIPR, GRIK5 NSD2 4345/4885GAA 1683/4885PLCG1 1283/4885
US-20130102570-A1 PROPHYLACTIC AGENT OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY GPR119, GIPR, CASR NSD2 4209/4885GAA 783/4885PLCG1 1471/4885
US-20110251418-A1 CASR AGONISTS CASR, GIPR, GRIK5 NSD2 4345/4885GAA 1683/4885PLCG1 1283/4885

“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.