SCHEMBL6996922

SCHEMBL6996922

CC(=O)Oc1cccc(OC(C)=O)c1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA7 P43166 1/20 0.63
CA9 Q16790 1/20 0.63
CA14 Q9ULX7 1/20 0.63
KDM4E B2RXH2 7/20 0.62
ALDH1A1 P00352 5/20 0.62
HSD17B10 Q99714 3/20 0.62
TSHR P16473 3/20 0.62
HPGD P15428 3/20 0.62
PTGS2 P35354 3/20 0.62
BLM P54132 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
ESR1 P03372 1/20 0.62
ITGB3 P05106 1/20 0.62
ITGA2B P08514 1/20 0.62
HMGB1 P09429 1/20 0.62
GGT1 P19440 1/20 0.62
PTGS1 P23219 1/20 0.62

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
SCHEMBL9394952 0.92 CA12 (0.78) CA12CA1CA2CA7CA9
SCHEMBL9393216 0.90 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL9364224 0.88 KDM4E (0.55) CA12CA1CA2CA7CA9
SCHEMBL1156927 0.88 KDM4E (0.70) CA12CA1CA2CA7CA9
SCHEMBL9419451 0.88 PPARG (0.57) CA12CA1CA2CA7CA9
SCHEMBL22129872 0.87 KDM4E (0.53) CA12CA1CA2CA7CA9
SCHEMBL5053351 0.87 KDM4E (0.53) CA12CA1CA2CA7CA9
SCHEMBL2483515 0.87 KDM4E (0.53) CA12CA1CA2CA7CA9
SCHEMBL4264348 0.87 KDM4E (0.53) CA12CA1CA2CA7CA9
SCHEMBL31403408 0.87 KDM4E (0.53) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6555519-B2 Treating diabetes and related diseases in combination with one, two or more other antidiabetic agents and/or one, two or more hypolipidemic agents. BRISTOL-MYERS SQUIBB COMPANY 2003-04-29 US disclosed
EP-1268503-A1 O-GLUCOSYLATED BENZAMIDE SGLT2 INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2003-01-02 EP disclosed
US-20020052326-A1 O-glucosylated benzamide SGLT2 inhibitors and method BRISTOL-MYERS SQUIBB COMPANY 2002-05-02 US disclosed
WO-2001074835-A1 O-GLUCOSYLATED BENZAMIDE SGLT2 INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-10-11 WO disclosed
WO-1995031192-A1 METHOD AND USE OF AGENTS TO INHIBIT PROTEIN POLYMERIZATION AND METHODS OF IDENTIFYING THESE AGENTS THOMAS JEFFERSON UNIVERSITY (US) 1995-11-23 WO 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 (1 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-20020052326-A1 O-glucosylated benzamide SGLT2 inhibitors and method SLC5A2, SLC5A1, SLC2A1 CA12 2717/4885CA1 4114/4885CA2 1097/4885

“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.