SCHEMBL176775

SCHEMBL176775

COc1ccc(NC(=O)CC[C@H](N)C(=O)O)cc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 13/20 0.55
CASR P41180 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4C Q9H3R0 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL7039236 0.82 LTA4H (0.60) LTA4HCASR
SCHEMBL176867 0.82 LTA4H (0.60) LTA4HCASRKDM4CTDP1
SCHEMBL6006561 0.81 LTA4H (0.59) LTA4HCASRNPC1RAB9ATDP1
Hydrochloric Acid SCHEMBL11250845 0.81 LTA4H (0.59) LTA4HCASRKDM4CTDP1
SCHEMBL14471590 0.81 CASR (0.72) CASR
SCHEMBL11574416 0.81 LTA4H (0.55) LTA4HCASR
SCHEMBL7034693 0.79 LTA4H (0.73) LTA4HNPC1RAB9A
SCHEMBL10599992 0.79 LTA4H (0.59) LTA4HCASR
SCHEMBL7074718 0.78 ALDH1A1 (0.52) NPC1RAB9AKDM4CTDP1
SCHEMBL26437502 0.77 LTA4H (0.73) LTA4H

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 1/4885NPC1 3287/4885
US-20140303122-A1 CASR AGONISTS CASR, GIPR, GRIK5 LTA4H 2221/4885CASR 1/4885NPC1 1519/4885
US-20130102570-A1 PROPHYLACTIC AGENT OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY GPR119, GIPR, CASR LTA4H 1419/4885CASR 3/4885NPC1 664/4885
US-20110251418-A1 CASR AGONISTS CASR, GIPR, GRIK5 LTA4H 2221/4885CASR 1/4885NPC1 1519/4885

“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.