SCHEMBL177182

SCHEMBL177182

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

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 10/20 0.66
CASR P41180 2/20 0.64
SMN1; SMN2 Q16637 3/20 0.55
HTT P42858 1/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GRM4 Q14833 1/20 0.50

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
SCHEMBL27981283 1.00 LTA4H (0.66) LTA4HCASRSMN1; SMN2HTTNPC1
SCHEMBL23417761 0.84 LTA4H (0.68) LTA4HCASRMAPT
SCHEMBL176813 0.84 LTA4H (0.91) LTA4HHTTMAPTL3MBTL1
SCHEMBL2522620 0.84 LTA4H (0.91) LTA4HHTTMAPTL3MBTL1
SCHEMBL31369727 0.83 LTA4H (0.66) LTA4HCASRHTTNPC1RAB9A
SCHEMBL31369959 0.83 LTA4H (0.66) LTA4HMEN1KMT2AMAPT
SCHEMBL9562940 0.82 LTA4H (0.73) LTA4HGRM4
SCHEMBL27783670 0.81 SMN1; SMN2 (0.62) CASRSMN1; SMN2HTTNPC1RAB9A
SCHEMBL10076188 0.81 MAPT (0.65) LTA4HSMN1; SMN2MAPT
SCHEMBL11037760 0.81 CASR (0.56) LTA4HCASRSMN1; SMN2NPC1RAB9A

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 1/4885SMN1; SMN2 4766/4885
US-20140303122-A1 CASR AGONISTS CASR, GIPR, GRIK5 LTA4H 2221/4885CASR 1/4885SMN1; SMN2 3322/4885
US-20130102570-A1 PROPHYLACTIC AGENT OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY GPR119, GIPR, CASR LTA4H 1419/4885CASR 3/4885SMN1; SMN2 4043/4885
US-20110251418-A1 CASR AGONISTS CASR, GIPR, GRIK5 LTA4H 2221/4885CASR 1/4885SMN1; SMN2 3322/4885

“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.