SCHEMBL2647740

SCHEMBL2647740

O=C(Nc1nccs1)C(CC1CCCC1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCK P35557 8/20 0.71
FFAR2 O15552 5/20 0.70
KCNH2 Q12809 1/20 0.62
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
EPHX2 P34913 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL2647924 1.00 GCK (0.71) GCKFFAR2KCNH2CYP1A2CYP3A4
SCHEMBL2664673 0.93 GCK (0.74) GCKFFAR2KCNH2CYP1A2CYP3A4
SCHEMBL2647122 0.92 GCK (0.71) GCKFFAR2KCNH2CYP1A2CYP3A4
SCHEMBL2647322 0.91 GCK (0.66) GCKFFAR2KCNH2CYP1A2CYP3A4
SCHEMBL2664627 0.90 GCK (0.67) GCKFFAR2KCNH2CYP1A2CYP3A4
SCHEMBL2653169 0.89 GCK (0.63) GCKFFAR2KCNH2CYP1A2CYP3A4
SCHEMBL2649058 0.89 GCK (0.68) GCKFFAR2KCNH2CYP1A2CYP3A4
SCHEMBL2648706 0.89 GCK (0.68) GCKFFAR2KCNH2CYP1A2CYP3A4
SCHEMBL2664841 0.89 GCK (0.68) GCKFFAR2KCNH2CYP1A2CYP3A4
SCHEMBL2644739 0.88 GCK (0.76) GCKFFAR2KCNH2CYP1A2CYP3A4

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 15 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 claimed
EP-1282611-A1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-12 EP claimed
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 claimed
US-20020002190-A1 Para-aryl or heterocyclic substituted phenyl glucokinase activators HOFFMANN-LA ROCHE INC. 2002-01-03 US claimed
WO-2001085706-A1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-15 WO claimed
US-20200188394-A1 TREATMENT OF LIVER DISEASE UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2020-06-18 US disclosed
EP-3558375-A1 TREATMENT OF LIVER DISEASE University of Newcastle Upon Tyne (GB) 2019-10-30 EP disclosed
WO-2018115845-A1 TREATMENT OF LIVER DISEASE UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2018-06-28 WO disclosed
WO-2006043036-A2 TREATMENT OF DIABETES THE UNIVERSITY OF NEWCASTLE (GB) 2006-04-27 WO disclosed
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
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 GCK 2/4885FFAR2 940/4885KCNH2 887/4885

“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.