SCHEMBL176806

SCHEMBL176806

NC(=O)CC[C@H](Nc1cc(I)ccc1S(=O)(=O)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 4/20 0.45
MMP2 P08253 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CA2 P00918 6/20 0.42
CA1 P00915 5/20 0.42
FOLH1 Q04609 6/20 0.39
KMT2A Q03164 1/20 0.38
KEAP1 Q14145 1/20 0.35
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
ADAMTS4 O75173 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
SCHEMBL15909588 0.85 L3MBTL1 (0.45) MMP9MMP2L3MBTL1CA2CA1
SCHEMBL177108 0.81 L3MBTL1 (0.45) MMP9MMP2L3MBTL1CA2CA1
SCHEMBL176872 0.77 CASR (0.51) MMP9MMP2L3MBTL1CA2CA1
SCHEMBL2521890 0.77 MMP9 (0.46) MMP9MMP2L3MBTL1CA2CA1
SCHEMBL177021 0.76 CA2 (0.49) MMP9MMP2L3MBTL1CA2CA1
SCHEMBL176798 0.76 CA2 (0.50) MMP9MMP2L3MBTL1CA2CA1
SCHEMBL177076 0.75 CASR (0.53) MMP9MMP2L3MBTL1CA2CA1
SCHEMBL176825 0.74 CA2 (0.47) MMP9MMP2L3MBTL1CA2CA1
SCHEMBL176845 0.74 CA2 (0.51) MMP9MMP2L3MBTL1CA2CA1
SCHEMBL176771 0.73 CA2 (0.56) MMP9MMP2L3MBTL1CA2CA1

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 MMP9 3076/4885MMP2 3359/4885L3MBTL1 4465/4885
US-20140303122-A1 CASR AGONISTS CASR, GIPR, GRIK5 MMP9 4267/4885MMP2 4470/4885L3MBTL1 4696/4885
US-20130102570-A1 PROPHYLACTIC AGENT OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY GPR119, GIPR, CASR MMP9 1970/4885MMP2 1132/4885L3MBTL1 4525/4885
US-20110251418-A1 CASR AGONISTS CASR, GIPR, GRIK5 MMP9 4267/4885MMP2 4470/4885L3MBTL1 4696/4885

“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.