SCHEMBL177265

SCHEMBL177265

N[C@@H](CCC(=O)Nc1cccc(C(=O)O)c1Cl)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.52
CASR P41180 3/20 0.47
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HCAR2 Q8TDS4 2/20 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
SCHEMBL11038416 0.86 LTA4H (0.61) LTA4HMEN1KMT2AHCAR2
SCHEMBL6003048 0.85 CASR (0.64) LTA4HCASRHCAR2
SCHEMBL178162 0.85 CASR (0.64) LTA4HCASRHCAR2
SCHEMBL2517851 0.84 SELP (0.56) LTA4HCASR
SCHEMBL176750 0.82 CASR (0.46) LTA4HCASRMEN1KMT2A
SCHEMBL6005176 0.82 CASR (0.46) LTA4HCASRMEN1KMT2A
SCHEMBL177554 0.81 CASR (0.67) LTA4HCASRHCAR2
SCHEMBL6005172 0.81 CASR (0.67) LTA4HCASRHCAR2
SCHEMBL30406248 0.81 MEN1 (0.62) LTA4HMEN1KMT2A
SCHEMBL11341258 0.76 LTA4H (0.58) LTA4HCASRMEN1KMT2A

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 LTA4H 651/4885CASR 1/4885PDK1 1486/4885
US-20140303122-A1 CASR AGONISTS CASR, GIPR, GRIK5 LTA4H 2221/4885CASR 1/4885PDK1 1748/4885
US-20130102570-A1 PROPHYLACTIC AGENT OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY GPR119, GIPR, CASR LTA4H 1419/4885CASR 3/4885PDK1 3482/4885
US-20110251418-A1 CASR AGONISTS CASR, GIPR, GRIK5 LTA4H 2221/4885CASR 1/4885PDK1 1748/4885

“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.