SCHEMBL176843

SCHEMBL176843

N[C@@H](CCC(=O)Nc1cc(Cl)cc(C(=O)O)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.53
GAA P10253 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CASR P41180 2/20 0.43
TPMT P51580 1/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42

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
SCHEMBL6004434 1.00 LTA4H (0.53) LTA4HGAAMEN1KMT2AL3MBTL1
SCHEMBL176873 0.85 LTA4H (0.55) LTA4HGAAMEN1KMT2ACASR
SCHEMBL6004432 0.84 LTA4H (0.53) LTA4HGAAMEN1KMT2ACASR
SCHEMBL176804 0.84 LTA4H (0.53) LTA4HGAAMEN1KMT2ACASR
SCHEMBL176907 0.81 CASR (0.67) LTA4HMEN1KMT2AL3MBTL1CASR
SCHEMBL177182 0.80 LTA4H (0.66) LTA4HMEN1KMT2AL3MBTL1CASR
SCHEMBL31369727 0.80 LTA4H (0.66) LTA4HMEN1KMT2ACASRSLC1A3
SCHEMBL27981283 0.80 LTA4H (0.66) LTA4HMEN1KMT2AL3MBTL1CASR
SCHEMBL10790488 0.79 LTA4H (0.57) LTA4HMEN1KMT2ACASRSLC1A3
SCHEMBL31370195 0.79 LTA4H (0.73) LTA4HSLC1A3SLC1A2SLC1A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2345636-B1 CASR AGONIST AJINOMOTO KK (JP) 2016-03-30 EP claimed
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 LTA4H 651/4885GAA 843/4885MEN1 2485/4885
US-20140303122-A1 CASR AGONISTS CASR, GIPR, GRIK5 LTA4H 2221/4885GAA 1683/4885MEN1 2018/4885
US-20130102570-A1 PROPHYLACTIC AGENT OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY GPR119, GIPR, CASR LTA4H 1419/4885GAA 783/4885MEN1 2176/4885
US-20110251418-A1 CASR AGONISTS CASR, GIPR, GRIK5 LTA4H 2221/4885GAA 1683/4885MEN1 2018/4885

“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.