SCHEMBL176798

SCHEMBL176798

NC(=O)CC[C@H](Nc1ccc(S(=O)(=O)O)c(Cl)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.50
CA1 P00915 10/20 0.50
L3MBTL1 Q9Y468 1/20 0.45
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CASR P41180 1/20 0.39
PYGL P06737 1/20 0.35
FPR2 P25090 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
SCHEMBL176771 0.90 CA2 (0.56) CA2CA1L3MBTL1MMP2MMP9
SCHEMBL177021 0.85 CA2 (0.49) CA2CA1L3MBTL1MMP2MMP9
SCHEMBL177108 0.85 L3MBTL1 (0.45) CA2CA1L3MBTL1MMP2MMP9
SCHEMBL176825 0.84 CA2 (0.47) CA2CA1L3MBTL1MMP2MMP9
SCHEMBL177093 0.83 CASR (0.55) CA2CA1L3MBTL1MMP2MMP9
SCHEMBL176892 0.83 L3MBTL1 (0.59) CA2CA1L3MBTL1MMP2MMP9
SCHEMBL177363 0.80 CASR (0.54) CA2CA1L3MBTL1MMP2MMP9
SCHEMBL177120 0.78 CASR (0.50) CA2CA1L3MBTL1MMP2MMP9
SCHEMBL15909588 0.76 L3MBTL1 (0.45) CA2CA1L3MBTL1MMP2MMP9
SCHEMBL14575853 0.76 CA2 (0.53) CA2CA1L3MBTL1MMP2MMP9

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 CA2 153/4885CA1 323/4885L3MBTL1 4465/4885
US-20140303122-A1 CASR AGONISTS CASR, GIPR, GRIK5 CA2 281/4885CA1 531/4885L3MBTL1 4696/4885
US-20130102570-A1 PROPHYLACTIC AGENT OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY GPR119, GIPR, CASR CA2 147/4885CA1 1163/4885L3MBTL1 4525/4885
US-20110251418-A1 CASR AGONISTS CASR, GIPR, GRIK5 CA2 281/4885CA1 531/4885L3MBTL1 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.