SCHEMBL2647332

SCHEMBL2647332

CCOC(=O)Cc1csc(NC(=O)C(CC2CCCC2)c2ccc(F)c(C(F)(F)F)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 5/20 0.46
GCK P35557 1/20 0.45
KCNH2 Q12809 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 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
SCHEMBL2647019 0.86 KCNH2 (0.45) ALDH1A1SMN1; SMN2MAPTGCKKCNH2
SCHEMBL2646210 0.85 MAPT (0.59) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL2646521 0.85 SMN1; SMN2 (0.54) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL14435743 0.84 MAPT (0.59) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL2646718 0.84 MAPT (0.59) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL2646171 0.83 GCK (0.55) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL2665208 0.82 GCK (0.54) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL2646630 0.82 KCNH2 (0.54) GCKKCNH2
SCHEMBL2648107 0.82 ALDH1A1 (0.56) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL2647225 0.81 GCK (0.68) ALDH1A1TDP1SMN1; SMN2GCKMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951945-B2 Heteroaromatic glucokinase activators HOFFMAN-LA ROCHE INC. (US) 2005-10-04 US claimed
US-20040014968-A1 Heteroaromatic glucokinase activators BIZZARRO FRED THOMAS (US) 2004-01-22 US claimed
US-20070203207-A1 Heteroaromatic glucokinase activators BIZZARRO FRED T 2007-08-30 US disclosed
US-20070203207-A1 Heteroaromatic glucokinase activators BIZZARRO FRED T 2007-08-30 US disclosed
US-7223868-B2 Such as 2-(3-chloro-phenyl)-3-cyclopentyl-N-thiazol-2-yl-propionamide which increases insulin secretion in treatment of type II diabetes HOFFMANN-LA ROCHE INC. (US) 2007-05-29 US disclosed
US-7223868-B2 Such as 2-(3-chloro-phenyl)-3-cyclopentyl-N-thiazol-2-yl-propionamide which increases insulin secretion in treatment of type II diabetes HOFFMANN-LA ROCHE INC. (US) 2007-05-29 US disclosed
US-20050261503-A1 Heteroaromatic glucokinase activators BIZZARO FRED T 2005-11-24 US disclosed
US-6951945-B2 Heteroaromatic glucokinase activators HOFFMAN-LA ROCHE INC. (US) 2005-10-04 US disclosed
US-20040014968-A1 Heteroaromatic glucokinase activators BIZZARRO FRED THOMAS (US) 2004-01-22 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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20040014968-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK ALDH1A1 3347/4885TDP1 4135/4885SMN1; SMN2 4775/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK ALDH1A1 3347/4885TDP1 4135/4885SMN1; SMN2 4775/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK ALDH1A1 3347/4885TDP1 4135/4885SMN1; SMN2 4775/4885

“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.