SCHEMBL177120

SCHEMBL177120

NC(=O)CC[C@H](Nc1cccc(S(=O)(=O)O)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.50
MMP2 P08253 3/20 0.50
MMP9 P14780 3/20 0.50
KMT2A Q03164 1/20 0.48
CA2 P00918 5/20 0.46
CA1 P00915 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
ITGB1 P05556 2/20 0.40
ITGA4 P13612 2/20 0.40
MMP8 P22894 1/20 0.39
MMP12 P39900 1/20 0.39
MMP14 P50281 1/20 0.39
SNCA P37840 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38

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
SCHEMBL14575670 0.81 MMP9 (0.43) CASRMMP2MMP9KMT2ACA2
SCHEMBL3448327 0.80 KMT2A (0.64) MMP2MMP9KMT2ACA2CA1
SCHEMBL3448329 0.80 KMT2A (0.64) MMP2MMP9KMT2ACA2CA1
Hydrochloric Acid SCHEMBL23834278 0.79 KMT2A (0.62) MMP2MMP9KMT2ACA2CA1
SCHEMBL176825 0.79 CA2 (0.47) CASRMMP2MMP9KMT2ACA2
SCHEMBL176845 0.79 CA2 (0.51) CASRMMP2MMP9KMT2ACA2
SCHEMBL14575853 0.78 CA2 (0.53) CASRMMP2MMP9KMT2ACA2
SCHEMBL176771 0.78 CA2 (0.56) CASRMMP2MMP9KMT2ACA2
SCHEMBL177108 0.78 L3MBTL1 (0.45) CASRMMP2MMP9KMT2ACA2
SCHEMBL176798 0.78 CA2 (0.50) CASRMMP2MMP9KMT2ACA2

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 CASR 1/4885MMP2 3359/4885MMP9 3076/4885
US-20140303122-A1 CASR AGONISTS CASR, GIPR, GRIK5 CASR 1/4885MMP2 4470/4885MMP9 4267/4885
US-20130102570-A1 PROPHYLACTIC AGENT OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY GPR119, GIPR, CASR CASR 3/4885MMP2 1132/4885MMP9 1970/4885
US-20110251418-A1 CASR AGONISTS CASR, GIPR, GRIK5 CASR 1/4885MMP2 4470/4885MMP9 4267/4885

“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.