SCHEMBL1107586

SCHEMBL1107586

COC(=O)Cc1ccc(S(C)(=O)=O)cc1NC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
MAPT P10636 2/20 0.44
ACLY P53396 1/20 0.42
ALDH3A1 P30838 1/20 0.41
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NQO2 P16083 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL12594066 0.84 ALDH1A1 (0.49) ALDH1A1MAPTALDH3A1CA1CA2
SCHEMBL12788087 0.80 HPGD (0.47) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL1134159 0.79 ALDH1A1 (0.45) ALDH1A1MAPTALDH3A1CA1CA2
SCHEMBL16434133 0.78 KCNH2 (0.42) ACLYCA2
SCHEMBL2435968 0.78 ALDH1A1 (0.49) ALDH1A1MAPTKMT2AMEN1MTNR1A
SCHEMBL5213501 0.78 KDM4E (0.49) ALDH1A1MAPTACLYKMT2AMEN1
SCHEMBL13294871 0.77 KMT2A (0.61) ALDH1A1MAPTKMT2AMEN1
SCHEMBL1107505 0.75 PDGFRB (0.53) ALDH1A1MAPTALDH3A1KMT2AMEN1
SCHEMBL996522 0.75 CYP1A2 (0.58) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL14592349 0.74 TSHR (0.54) ALDH1A1KDM4E

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-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2012-06-07 US disclosed
US-8153677-B2 Substituted pyrazolylamide compounds useful as glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-10 US disclosed
WO-2008005964-A2 PHOSPHONATE AND PHOSPHINATE COMPOUNDS AS GLUCOKINASE ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 WO disclosed
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 US disclosed
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 US 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 (2 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-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 ALDH1A1 4620/4885MAPT 4511/4885ACLY 887/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 ALDH1A1 4539/4885MAPT 4446/4885ACLY 895/4885

“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.