SCHEMBL2646897

SCHEMBL2646897

COCSc1ccc(C(CC2CCCC2)C(=O)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.36
GCK P35557 3/20 0.35
APP P05067 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GPR88 Q9GZN0 1/20 0.33
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NPY5R Q15761 1/20 0.32
EPHX1 P07099 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL2658173 0.89 GCK (0.38) GCK
SCHEMBL2647907 0.83 APP (0.37) GCKAPPPSEN1PSEN2APH1B
SCHEMBL1107404 0.82 AKR1C3 (0.40) GCKAPPPSEN1PSEN2APH1B
SCHEMBL2646161 0.82 AKR1C3 (0.40) GCKAPPPSEN1PSEN2APH1B
SCHEMBL1867699 0.80 GCK (0.37) GCKAPPPSEN1PSEN2APH1B
SCHEMBL1867701 0.80 GCK (0.37) GCKAPPPSEN1PSEN2APH1B
SCHEMBL2646192 0.80 EPHX2 (0.48) ALDH1A1EPHX2AKR1C3AKR1C2POLB
SCHEMBL4480050 0.79 AKR1C3 (0.49) L3MBTL1ALDH1A1AKR1C3AKR1C2AKR1C1
SCHEMBL1858753 0.79 MAOA (0.36) GCKAPPPSEN1PSEN2APH1B
SCHEMBL1858751 0.79 MAOA (0.36) GCKAPPPSEN1PSEN2APH1B

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 FFAR1 2747/4885GCK 2/4885APP 2579/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK FFAR1 2747/4885GCK 2/4885APP 2579/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK FFAR1 2747/4885GCK 2/4885APP 2579/4885

“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.