SCHEMBL177121

SCHEMBL177121

Cc1c(Cl)cc(S(=O)(=O)O)cc1N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASR P41180 5/20 0.55
CA2 P00918 6/20 0.43
CA1 P00915 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
PYGL P06737 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.34
KEAP1 Q14145 1/20 0.34

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 0.83 CA2 (0.53) CASRCA2CA1L3MBTL1MMP2
SCHEMBL177093 0.79 CASR (0.55) CASRCA2CA1L3MBTL1MMP2
SCHEMBL176845 0.77 CA2 (0.51) CASRCA2CA1L3MBTL1MMP2
SCHEMBL176793 0.76 CASR (0.55) CASRCA2CA1L3MBTL1MMP2
SCHEMBL11499625 0.75 CASR (0.55) CASRCA2CA1ALDH1A1LMNA
SCHEMBL176872 0.75 CASR (0.51) CASRCA2CA1L3MBTL1MMP2
SCHEMBL14575670 0.75 MMP9 (0.43) CASRCA2CA1L3MBTL1MMP2
SCHEMBL6004392 0.74 CASR (0.70) CASRCA2CA1
SCHEMBL176668 0.74 NSD2 (0.48) CA2CA1L3MBTL1MMP2MMP9
SCHEMBL177076 0.73 CASR (0.53) CASRCA2CA1L3MBTL1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2345636-B1 CASR AGONIST AJINOMOTO KK (JP) 2016-03-30 EP 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 CASR 1/4885CA2 153/4885CA1 323/4885
US-20140303122-A1 CASR AGONISTS CASR, GIPR, GRIK5 CASR 1/4885CA2 281/4885CA1 531/4885
US-20130102570-A1 PROPHYLACTIC AGENT OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY GPR119, GIPR, CASR CASR 3/4885CA2 147/4885CA1 1163/4885
US-20110251418-A1 CASR AGONISTS CASR, GIPR, GRIK5 CASR 1/4885CA2 281/4885CA1 531/4885

“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.