SCHEMBL9892936

SCHEMBL9892936

CC(=O)[C@]1(c2ccc(S(C)(=O)=O)cc2)C[C@H]1C1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.60
KMT2A Q03164 3/20 0.44
CNR2 P34972 1/20 0.42
EPHX2 P34913 1/20 0.40
PTGS2 P35354 6/20 0.38
MEN1 O00255 2/20 0.37
EPHX1 P07099 1/20 0.36
HSD11B1 P28845 1/20 0.35
ENPP2 Q13822 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTSB P07858 1/20 0.34
CTSK P43235 1/20 0.34
ATR Q13535 1/20 0.33

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
SCHEMBL2654841 0.89 GCK (0.60) GCKKMT2ACNR2EPHX2PTGS2
SCHEMBL1581747 0.89 GCK (0.60) GCKKMT2ACNR2EPHX2PTGS2
SCHEMBL2666200 0.88 GCK (0.59) GCKKMT2ACNR2EPHX2PTGS2
SCHEMBL1582235 0.88 GCK (0.58) GCKKMT2ACNR2EPHX2PTGS2
SCHEMBL9072639 0.86 GCK (0.57) GCKKMT2ACNR2EPHX2PTGS2
SCHEMBL1581861 0.86 GCK (0.57) GCKKMT2ACNR2EPHX2PTGS2
SCHEMBL1107322 0.86 GCK (0.57) GCKKMT2ACNR2EPHX2PTGS2
SCHEMBL1581698 0.86 GCK (0.60) GCKKMT2ACNR2EPHX2PTGS2
SCHEMBL15828006 0.80 GCK (0.59) GCKKMT2ACNR2EPHX2PTGS2
SCHEMBL2662321 0.76 GCK (1.00) GCKKMT2AMEN1SMN1; SMN2

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 2 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-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 GCK 2/4885KMT2A 2344/4885CNR2 2922/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 GCK 2/4885KMT2A 2260/4885CNR2 3221/4885

“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.