SCHEMBL176826

SCHEMBL176826

O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc(S(=O)(=O)O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.61
GAA P10253 1/20 0.61
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
MMP1 P03956 1/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
MMP13 P45452 1/20 0.55
PKM P14618 2/20 0.54
HSD17B1 P14061 2/20 0.51
HSD17B2 P37059 2/20 0.51
RXFP1 Q9HBX9 1/20 0.50
RAB9A P51151 1/20 0.50
CYP19A1 P11511 1/20 0.50
HSPD1 P10809 1/20 0.49
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPN5 P54829 1/20 0.49

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
SCHEMBL3625980 0.84 L3MBTL1 (0.69) L3MBTL1SMN1; SMN2GAACA1CA2
SCHEMBL31235173 0.81 AR (0.67) L3MBTL1SMN1; SMN2GAACA1CA2
SCHEMBL410747 0.81 AR (0.67) L3MBTL1SMN1; SMN2GAACA1CA2
SCHEMBL17077916 0.81 L3MBTL1 (0.65) L3MBTL1SMN1; SMN2GAACA1CA2
SCHEMBL28270283 0.81 L3MBTL1 (0.65) L3MBTL1SMN1; SMN2GAACA1CA2
SCHEMBL7448043 0.81 L3MBTL1 (0.65) L3MBTL1SMN1; SMN2GAACA1CA2
SCHEMBL4281895 0.80 L3MBTL1 (0.78) L3MBTL1SMN1; SMN2GAACA1CA2
SCHEMBL4289256 0.78 L3MBTL1 (0.65) L3MBTL1SMN1; SMN2GAAPKMRAB9A
SCHEMBL14632373 0.78 L3MBTL1 (0.61) L3MBTL1SMN1; SMN2GAACA1CA2
SCHEMBL8269541 0.78 L3MBTL1 (0.65) L3MBTL1SMN1; SMN2GAACA1CA2

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 L3MBTL1 4465/4885SMN1; SMN2 4766/4885GAA 843/4885
US-20140303122-A1 CASR AGONISTS CASR, GIPR, GRIK5 L3MBTL1 4696/4885SMN1; SMN2 3322/4885GAA 1683/4885
US-20130102570-A1 PROPHYLACTIC AGENT OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY GPR119, GIPR, CASR L3MBTL1 4525/4885SMN1; SMN2 4043/4885GAA 783/4885
US-20110251418-A1 CASR AGONISTS CASR, GIPR, GRIK5 L3MBTL1 4696/4885SMN1; SMN2 3322/4885GAA 1683/4885

“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.