SCHEMBL176786

SCHEMBL176786

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.39
MMP9 P14780 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CA2 P00918 6/20 0.38
CA1 P00915 4/20 0.38
CASR P41180 4/20 0.36
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
NT5E P21589 2/20 0.34
KMT2A Q03164 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
SCHEMBL177076 0.82 CASR (0.53) MMP2MMP9L3MBTL1CA2CA1
SCHEMBL176668 0.80 NSD2 (0.48) MMP2MMP9L3MBTL1CA2CA1
SCHEMBL2521890 0.77 MMP9 (0.46) MMP2MMP9L3MBTL1CA2CA1
SCHEMBL27974309 0.74 CRHBP (0.49) L3MBTL1GAAMAPTKMT2A
SCHEMBL27974307 0.74 CRHBP (0.49) L3MBTL1GAAMAPTKMT2A
SCHEMBL176872 0.72 CASR (0.51) MMP2MMP9L3MBTL1CA2CA1
SCHEMBL176845 0.72 CA2 (0.51) MMP2MMP9L3MBTL1CA2CA1
SCHEMBL15909588 0.71 L3MBTL1 (0.45) MMP2MMP9L3MBTL1CA2CA1
SCHEMBL176806 0.71 MMP9 (0.45) MMP2MMP9L3MBTL1CA2CA1
SCHEMBL177155 0.71 CASR (0.48) CASRPOLB

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 MMP2 3359/4885MMP9 3076/4885L3MBTL1 4465/4885
US-20140303122-A1 CASR AGONISTS CASR, GIPR, GRIK5 MMP2 4470/4885MMP9 4267/4885L3MBTL1 4696/4885
US-20130102570-A1 PROPHYLACTIC AGENT OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY GPR119, GIPR, CASR MMP2 1132/4885MMP9 1970/4885L3MBTL1 4525/4885
US-20110251418-A1 CASR AGONISTS CASR, GIPR, GRIK5 MMP2 4470/4885MMP9 4267/4885L3MBTL1 4696/4885

“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.