SCHEMBL2648477

SCHEMBL2648477

CCOC(=O)c1csc(NC(=O)C(CC2CCCC2)c2ccc(Oc3ccccc3)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
HSP90AA1 P07900 2/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
GCK P35557 9/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 1/20 0.46
CTSK P43235 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL2648275 0.92 GCK (0.49) SMN1; SMN2GCKPOLB
SCHEMBL2648531 0.91 SMN1; SMN2 (0.55) SMN1; SMN2RAB9ANPC1LMNAGAA
SCHEMBL2649635 0.89 GCK (0.49) RAB9ANPC1LMNAGCKPOLB
SCHEMBL2646731 0.88 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ANPC1LMNAHSP90AA1
SCHEMBL2647253 0.86 ALDH1A1 (0.54) SMN1; SMN2LMNAMAPTMAPK1GCK
SCHEMBL2646219 0.85 GCK (0.63) SMN1; SMN2GCK
SCHEMBL2645677 0.84 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ANPC1GAAGCK
SCHEMBL6563297 0.84 GCK (0.55) SMN1; SMN2LMNAGCKKDM4E
SCHEMBL27465165 0.84 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ANPC1GAAHSP90AA1
SCHEMBL2646555 0.83 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1LMNAHSP90AA1

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
EP-1282611-B1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-20 EP disclosed
EP-1282611-A1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-12 EP disclosed
US-6384220-B2 ANTIDIABETIC AGENTS INCREASING THE EXPRESSION OF GLUCOKINASE (GK) TO IMPROVE GLUCOSE TOLERANCE; INCREASE IN GLUCOSE EXPOSURE COUPLED THROUGH GK IN BETA-CELLS TO INCREASE INSULIN SECRETION AND IN HEPATOCYTES TO INCREASE GLYCOGEN DEPOSITION HOFFMANN-LA ROCHE INC. 2002-05-07 US disclosed
US-20020002190-A1 Para-aryl or heterocyclic substituted phenyl glucokinase activators HOFFMANN-LA ROCHE INC. 2002-01-03 US disclosed
WO-2001085706-A1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-15 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-20020002190-A1 Para-aryl or heterocyclic substituted phenyl glucokinase activators GCKR, GCK, PDXK SMN1; SMN2 4302/4885RAB9A 3537/4885NPC1 3294/4885

“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.