SCHEMBL177282

SCHEMBL177282

NC(=O)CC[C@H](Nc1cccc([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
MMP2 P08253 1/20 0.50
ALDH1A1 P00352 5/20 0.49
MAPT P10636 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 7/20 0.49
MEN1 O00255 6/20 0.49
POLB P06746 3/20 0.49
DDX3X O00571 1/20 0.49
HTT P42858 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
BLM P54132 1/20 0.45

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
SCHEMBL2247050 0.81 CYP2D6 (0.54) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL29233715 0.80 ALDH1A1 (0.60) CA12CA1MMP2ALDH1A1MAPT
SCHEMBL29233717 0.80 ALDH1A1 (0.60) CA12CA1MMP2ALDH1A1MAPT
SCHEMBL3448329 0.79 KMT2A (0.64) CA1MMP2MAPTL3MBTL1KMT2A
SCHEMBL3448327 0.79 KMT2A (0.64) CA1MMP2MAPTL3MBTL1KMT2A
SCHEMBL27974309 0.79 CRHBP (0.49) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL27974307 0.79 CRHBP (0.49) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL177253 0.79 KMT2A (0.48) CA1MMP2MAPTL3MBTL1KMT2A
Hydrochloric Acid SCHEMBL23834278 0.78 KMT2A (0.62) CA1MMP2MAPTL3MBTL1KMT2A
SCHEMBL177120 0.76 CASR (0.50) CA1MMP2ALDH1A1L3MBTL1KMT2A

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 CA12 1261/4885CA1 323/4885MMP2 3359/4885
US-20140303122-A1 CASR AGONISTS CASR, GIPR, GRIK5 CA12 1943/4885CA1 531/4885MMP2 4470/4885
US-20130102570-A1 PROPHYLACTIC AGENT OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY GPR119, GIPR, CASR CA12 1678/4885CA1 1163/4885MMP2 1132/4885
US-20110251418-A1 CASR AGONISTS CASR, GIPR, GRIK5 CA12 1943/4885CA1 531/4885MMP2 4470/4885

“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.