SCHEMBL1107378

SCHEMBL1107378

CSc1ccc([C@@H](CC2CCCC2)C(=O)N(C)[C@H](C)[C@H](O)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.41
NPY5R Q15761 8/20 0.40
CCR5 P51681 1/20 0.39
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
NPY2R P49146 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL2643987 1.00 GAA (0.44) GAAMEN1KMT2AKDM4ENPY5R
SCHEMBL8152205 0.91 GAA (0.51) GAAKDM4ENPY5RALDH1A1PSEN1
SCHEMBL1860370 0.91 GAA (0.43) GAAKDM4ENPY5RALDH1A1PSEN1
SCHEMBL1860368 0.91 GAA (0.43) GAAKDM4ENPY5RALDH1A1PSEN1
SCHEMBL1860369 0.91 GAA (0.43) GAAKDM4ENPY5RALDH1A1PSEN1
SCHEMBL1857588 0.90 GAA (0.42) GAAKDM4ENPY5RALDH1A1PSEN1
SCHEMBL1863940 0.90 GAA (0.45) GAAMEN1KMT2AKDM4ENPY5R
SCHEMBL1857590 0.90 GAA (0.42) GAAKDM4ENPY5RALDH1A1PSEN1
SCHEMBL1857589 0.90 GAA (0.42) GAAKDM4ENPY5RALDH1A1PSEN1
SCHEMBL1863945 0.90 GAA (0.45) GAAMEN1KMT2AKDM4ENPY5R

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 36 patents — showing the first 20. 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-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
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
US-7910747-B2 Phosphonate and phosphinate pyrazolylamide glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-22 US disclosed
US-7910747-B2 Phosphonate and phosphinate pyrazolylamide glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-22 US disclosed
US-7888504-B2 Glucokinase activators and methods of using same BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-15 US disclosed
US-7888504-B2 Glucokinase activators and methods of using same BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-15 US disclosed
US-6610846-B1 Increase insulin secretion; type II diabetes; 2,3-Di-substituted N-heteroaromatic propionamides with 3- a phenyl group and 2- a methyl cycloalkyl ring; 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-pyridazin-3-yl-propionamide HOFFMAN-LA ROCHE INC. 2003-08-26 US disclosed
US-6545155-B2 Useful for increasing insulin secretion in the treatment of type II diabetes HOFFMANN-LA ROCHE INC. 2003-04-08 US disclosed
US-6448399-B1 3-CYCLOALKYL- OR PROPYL-2-(3,4-DIHALOPHENYL)-N-QUINOLINYL-, QUINAZOLINYL-, OR QUINOXOLINYL-PROPIONAMIDE. HOFFMANN-LA ROCHE INC. 2002-09-10 US disclosed
US-6441184-B1 SUCH AS N-BENZOOXAZOL-2-YL-3-CYCLOPENTYL-2-(4-METHANESULFONYL -PHENYL)-PROPIONAMIDE FOR INCREASING INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES HOFFMANN-LA ROCHE INC. 2002-08-27 US disclosed
US-20020111372-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS CORBETT WENDY L (US) 2002-08-15 US disclosed
US-6433188-B1 ANTIDIABETIC AGENTS CORBETT WENDY LEA (US) 2002-08-13 US disclosed
US-20020107396-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS CORBETT WENDY LEA (US) 2002-08-08 US disclosed
US-20020103199-A1 Fused heteroaromatic glucokinase activators CORBETT WENDY LEA (US) 2002-08-01 US disclosed
US-20020103241-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS CORBETT WENDY L (US) 2002-08-01 US disclosed
WO-2002046173-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-13 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 (6 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-20020111372-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS GCKR, GCK, GPR119 GAA 107/4885MEN1 4000/4885KMT2A 3124/4885
US-20020103199-A1 Fused heteroaromatic glucokinase activators GCKR, GCK, GPR119 GAA 107/4885MEN1 4000/4885KMT2A 3124/4885
US-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, MPO, GCK GAA 750/4885MEN1 3153/4885KMT2A 2216/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 GAA 1023/4885MEN1 3412/4885KMT2A 2260/4885
US-20020107396-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS GCKR, GCK, GPR119 GAA 107/4885MEN1 4000/4885KMT2A 3124/4885
US-20020103241-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS GCKR, GCK, GPR119 GAA 107/4885MEN1 4000/4885KMT2A 3124/4885

“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.