SCHEMBL176750

SCHEMBL176750

N[C@@H](CCC(=O)Nc1cc(Cl)cc(C(=O)O)c1Cl)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASR P41180 10/20 0.46
LTA4H P09960 4/20 0.46
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41

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
SCHEMBL6005176 1.00 CASR (0.46) CASRLTA4HKDM4EALDH1A1CYP3A4
SCHEMBL177265 0.82 LTA4H (0.52) CASRLTA4HMEN1KMT2A
SCHEMBL12327073 0.79 CASR (0.60) CASRCYP3A4
SCHEMBL25760375 0.79 CASR (0.60) CASRCYP3A4
SCHEMBL11038416 0.75 LTA4H (0.61) LTA4HKDM4EALDH1A1MEN1KMT2A
SCHEMBL6005259 0.75 CASR (0.79) CASRLTA4H
SCHEMBL14471709 0.75 CASR (0.79) CASRLTA4H
SCHEMBL176843 0.75 LTA4H (0.53) CASRLTA4HMEN1KMT2ASLC1A3
SCHEMBL6004434 0.75 LTA4H (0.53) CASRLTA4HMEN1KMT2ASLC1A3
SCHEMBL176722 0.74 CASR (0.65) CASRLTA4HALDH1A1MEN1KMT2A

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 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-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 1/4885LTA4H 651/4885KDM4E 4016/4885
US-20140303122-A1 CASR AGONISTS CASR, GIPR, GRIK5 CASR 1/4885LTA4H 2221/4885KDM4E 3886/4885
US-20130102570-A1 PROPHYLACTIC AGENT OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY GPR119, GIPR, CASR CASR 3/4885LTA4H 1419/4885KDM4E 4756/4885
US-20110251418-A1 CASR AGONISTS CASR, GIPR, GRIK5 CASR 1/4885LTA4H 2221/4885KDM4E 3886/4885

“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.