SCHEMBL177253

SCHEMBL177253

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
GGH Q92820 1/20 0.45
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
CA2 P00918 6/20 0.41
CA1 P00915 4/20 0.41
MME P08473 1/20 0.39
ECE1 P42892 1/20 0.39
FDPS P14324 1/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL2519240 0.87 KMT2A (0.44) KMT2AGGHITGB3ITGA2BMMP2
SCHEMBL3448329 0.80 KMT2A (0.64) KMT2AGGHMMP2MMP9CA2
SCHEMBL3448327 0.80 KMT2A (0.64) KMT2AGGHMMP2MMP9CA2
SCHEMBL20189709 0.80 KMT2A (0.51) KMT2AGGHMMP2MMP9CA2
SCHEMBL20189708 0.80 KMT2A (0.51) KMT2AGGHMMP2MMP9CA2
Hydrochloric Acid SCHEMBL23834278 0.79 KMT2A (0.62) KMT2AGGHMMP2MMP9CA2
SCHEMBL177282 0.79 CA12 (0.50) KMT2AMMP2CA1L3MBTL1MAPT
SCHEMBL966529 0.77 SMN1; SMN2 (0.51) KMT2AMMP2CA1GAAMAPT
SCHEMBL177120 0.77 CASR (0.50) KMT2AITGB3ITGA2BMMP2MMP9
SCHEMBL31540140 0.77 CA2 (0.47) KMT2AITGB3ITGA2BMMP2MMP9

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2345636-B1 CASR AGONIST AJINOMOTO KK (JP) 2016-03-30 EP claimed
US-9174932-B2 CaSR agonists AJINOMOTO CO., INC. (JP) 2015-11-03 US claimed
US-20140303122-A1 CASR AGONISTS AJINOMOTO CO., INC. (JP) 2014-10-09 US 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-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 KMT2A 3666/4885GGH 93/4885ITGB3 3328/4885
US-20140303122-A1 CASR AGONISTS CASR, GIPR, GRIK5 KMT2A 2704/4885GGH 890/4885ITGB3 3203/4885
US-20130102570-A1 PROPHYLACTIC AGENT OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY GPR119, GIPR, CASR KMT2A 4292/4885GGH 2655/4885ITGB3 2617/4885
US-20110251418-A1 CASR AGONISTS CASR, GIPR, GRIK5 KMT2A 2704/4885GGH 890/4885ITGB3 3203/4885

“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.