SCHEMBL176845

SCHEMBL176845

NC(=O)CC[C@H](Nc1cc(S(=O)(=O)O)ccc1O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.51
CA1 P00915 7/20 0.51
MMP2 P08253 2/20 0.49
MMP9 P14780 2/20 0.49
CASR P41180 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
KEAP1 Q14145 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
SCHEMBL14575853 0.86 CA2 (0.53) CA2CA1MMP2MMP9CASR
SCHEMBL176793 0.83 CASR (0.55) CA2CA1MMP2MMP9CASR
SCHEMBL176668 0.79 NSD2 (0.48) CA2CA1MMP2MMP9L3MBTL1
SCHEMBL177120 0.79 CASR (0.50) CA2CA1MMP2MMP9CASR
SCHEMBL176825 0.78 CA2 (0.47) CA2CA1MMP2MMP9CASR
SCHEMBL177121 0.77 CASR (0.55) CA2CA1MMP2MMP9CASR
SCHEMBL5595918 0.77 KMT2A (0.51) CA2CA1MMP2MMP9L3MBTL1
SCHEMBL9294202 0.77 KMT2A (0.51) CA2CA1MMP2MMP9L3MBTL1
SCHEMBL2521890 0.75 MMP9 (0.46) CA2CA1MMP2MMP9CASR
SCHEMBL15909588 0.74 L3MBTL1 (0.45) CA2CA1MMP2MMP9L3MBTL1

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 CA2 153/4885CA1 323/4885MMP2 3359/4885
US-20140303122-A1 CASR AGONISTS CASR, GIPR, GRIK5 CA2 281/4885CA1 531/4885MMP2 4470/4885
US-20130102570-A1 PROPHYLACTIC AGENT OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY GPR119, GIPR, CASR CA2 147/4885CA1 1163/4885MMP2 1132/4885
US-20110251418-A1 CASR AGONISTS CASR, GIPR, GRIK5 CA2 281/4885CA1 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.