SCHEMBL177145

SCHEMBL177145

N[C@@H](COC(=O)Nc1cccc(S(=O)(=O)O)c1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASR P41180 6/20 0.65
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 1/20 0.44
CA1 P00915 8/20 0.43
CA2 P00918 8/20 0.43
CA12 O43570 6/20 0.43
CA9 Q16790 6/20 0.43
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MGLL Q99685 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
SCHEMBL6004427 1.00 CASR (0.65) CASRMAPTLMNAMAPK1HSD17B10
SCHEMBL14575329 0.89 CASR (0.58) CASRLMNAMAPK1CA1CA2
SCHEMBL14471490 0.88 CASR (0.57) CASRLMNAMAPK1CA1CA2
SCHEMBL14471813 0.86 CASR (0.53) CASRMAPTLMNAMAPK1HSD17B10
SCHEMBL11613830 0.79 CASR (0.66) CASRCA1CA2
SCHEMBL30143456 0.79 CASR (1.00) CASRMAPTCA1CA2CA12
SCHEMBL6004419 0.79 CASR (0.66) CASRCA1CA2
SCHEMBL19971763 0.79 CASR (1.00) CASRMAPTCA1CA2CA12
SCHEMBL12329176 0.79 CASR (1.00) CASRMAPTCA1CA2CA12
SCHEMBL28138533 0.78 CASR (1.00) CASRMAPTLMNACA1CA2

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 1/4885MAPT 2352/4885LMNA 4842/4885
US-20140303122-A1 CASR AGONISTS CASR, GIPR, GRIK5 CASR 1/4885MAPT 3790/4885LMNA 3955/4885
US-20130102570-A1 PROPHYLACTIC AGENT OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY GPR119, GIPR, CASR CASR 3/4885MAPT 4605/4885LMNA 2493/4885
US-20110251418-A1 CASR AGONISTS CASR, GIPR, GRIK5 CASR 1/4885MAPT 3790/4885LMNA 3955/4885

“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.