SCHEMBL2647401

SCHEMBL2647401

COCSc1ccc(CC(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.47
CAMK2A Q9UQM7 1/20 0.47
AKR1B1 P15121 1/20 0.45
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
GAA P10253 3/20 0.44
TSHR P16473 2/20 0.44
PTGS1 P23219 2/20 0.44
LMNA P02545 2/20 0.44
ABCC4 O15439 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
NFKB1 P19838 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP26A1 O43174 1/20 0.42
KLKB1 P03952 1/20 0.42

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
SCHEMBL11801743 0.85 PTGS1 (0.60) CA2AKR1B1ALDH1A1HSD17B10HPGD
SCHEMBL2646823 0.84 CYP4F2 (0.54) ALDH1A1HPGDGAALMNAKDM4E
SCHEMBL13712011 0.81 LMNA (0.50) ALDH1A1HSD17B10GAATSHRLMNA
SCHEMBL1403717 0.79 ALDH1A1 (0.53) CA2CAMK2AAKR1B1ALDH1A1HSD17B10
SCHEMBL23536313 0.79 DAO (0.40) CA2TSHRMAPT
SCHEMBL2651928 0.76 ALDH1A1 (0.55) CA2CAMK2AAKR1B1ALDH1A1HSD17B10
SCHEMBL670933 0.76 PKM (0.51) CA2CAMK2AAKR1B1ALDH1A1HSD17B10
SCHEMBL11690462 0.76 CA2 (0.52) CA2CAMK2AAKR1B1ALDH1A1HSD17B10
SCHEMBL11301284 0.76 CA2 (0.52) CA2CAMK2AAKR1B1ALDH1A1HSD17B10
SCHEMBL9969777 0.75 CA2 (0.47) CA2CAMK2AAKR1B1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168962-A2 PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE MODULATORS Prosidion Limited (GB) 2010-03-31 EP 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-7214681-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2007-05-08 US disclosed
US-20050261503-A1 Heteroaromatic glucokinase activators BIZZARO FRED T 2005-11-24 US disclosed
EP-1594867-A2 PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE MODULATORS Prosidion Limited (GB) 2005-11-16 EP disclosed
US-6951945-B2 Heteroaromatic glucokinase activators HOFFMAN-LA ROCHE INC. (US) 2005-10-04 US disclosed
US-20040181067-A1 Tri(cyclo) substituted amide compounds OSI PHARMACEUTICALS, INC. 2004-09-16 US disclosed
WO-2004072031-A2 PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE MODULATORS PROSIDION LIMITED (GB) 2004-08-26 WO 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 (4 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 CA2 1590/4885CAMK2A 697/4885AKR1B1 1622/4885
US-20040181067-A1 Tri(cyclo) substituted amide compounds GPR119, IAPP, SLC5A1 CA2 1656/4885CAMK2A 1609/4885AKR1B1 343/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK CA2 1590/4885CAMK2A 697/4885AKR1B1 1622/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK CA2 1590/4885CAMK2A 697/4885AKR1B1 1622/4885

“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.