SCHEMBL1107632

SCHEMBL1107632

CCOC(=O)c1cc(CCc2ccccc2)nn1-c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.50
PTGS2 P35354 4/20 0.47
CA9 Q16790 3/20 0.47
LMNA P02545 2/20 0.46
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
EPHX2 P34913 1/20 0.43
CA12 O43570 2/20 0.42
PTGS1 P23219 1/20 0.42
PDE4D Q08499 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL9891680 0.88 PTGS2 (0.52) ALOX5PTGS2CA9EPHX2PTGS1
SCHEMBL1107634 0.87 PTGS2 (0.56) ALOX5PTGS2CA9ALDH1A1EPHX2
SCHEMBL1107515 0.82 CA9 (0.58) PTGS2CA9ALDH1A1POLBTDP1
SCHEMBL16142903 0.79 ALDH1A1 (0.54) LMNAALDH1A1POLBSMN1; SMN2PDE4D
SCHEMBL1107588 0.78 GRN (0.49) ALOX5PTGS2CA9LMNAALDH1A1
SCHEMBL22896894 0.77 LMNA (0.56) LMNAALDH1A1POLBSMN1; SMN2PDE4D
SCHEMBL6414424 0.77 LMNA (0.51) LMNAALDH1A1POLBSMN1; SMN2PDE4D
SCHEMBL6415169 0.76 LMNA (0.55) LMNAALDH1A1POLBSMN1; SMN2PDE4D
SCHEMBL6415533 0.75 LMNA (0.54) LMNAALDH1A1POLBSMN1; SMN2PDE4D
SCHEMBL2668898 0.75 GCK (0.49) ALOX5PTGS2ALDH1A1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153677-B2 Substituted pyrazolylamide compounds useful as glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-10 US disclosed
US-8153677-B2 Substituted pyrazolylamide compounds useful as glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-10 US disclosed
US-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 US disclosed
US-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 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-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, MPO, GCK ALOX5 2967/4885PTGS2 3795/4885CA9 449/4885
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 ALOX5 3134/4885PTGS2 3837/4885CA9 549/4885

“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.