SCHEMBL2646823

SCHEMBL2646823

COCSc1ccc(CC(=O)OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.54
CYP4A11 Q02928 1/20 0.54
MAPT P10636 5/20 0.49
GAA P10253 2/20 0.49
MAPK1 P28482 2/20 0.49
ALDH1A1 P00352 4/20 0.49
GFER P55789 1/20 0.49
ATM Q13315 1/20 0.48
HSP90AB1 P08238 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL13712011 0.87 LMNA (0.50) CYP4F2CYP4A11MAPTGAAMAPK1
SCHEMBL168640 0.85 MAPT (0.54) CYP4F2CYP4A11MAPTGAAMAPK1
SCHEMBL2647401 0.84 CA2 (0.47) MAPTGAAALDH1A1LMNAKDM4E
SCHEMBL24032669 0.84 CYP4F2 (0.56) CYP4F2CYP4A11MAPTGAAMAPK1
SCHEMBL10061268 0.81 CYP4F2 (0.62) CYP4F2CYP4A11MAPTGAAMAPK1
SCHEMBL4113212 0.81 CYP4F2 (0.76) CYP4F2CYP4A11MAPTGAAALDH1A1
SCHEMBL1551331 0.80 CYP4F2 (0.59) CYP4F2CYP4A11MAPTGAAMAPK1
SCHEMBL10688303 0.79 FFAR1 (0.55) CYP4F2CYP4A11MAPK1ALDH1A1NPC1
SCHEMBL166013 0.79 CYP4F2 (0.50) CYP4F2CYP4A11MAPTGAAMAPK1
SCHEMBL23193672 0.79 CYP4F2 (0.58) CYP4F2CYP4A11MAPTGAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 CYP4F2 1231/4885CYP4A11 1905/4885MAPT 4407/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK CYP4F2 1231/4885CYP4A11 1905/4885MAPT 4407/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK CYP4F2 1231/4885CYP4A11 1905/4885MAPT 4407/4885

“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.