SCHEMBL2646747

SCHEMBL2646747

COC(=O)C(=CC1CCCCC1)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
GCK P35557 1/20 0.47
AKR1C3 P42330 5/20 0.43
PTGS2 P35354 4/20 0.40
MEN1 O00255 1/20 0.40
EPHX2 P34913 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39

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
SCHEMBL2646742 1.00 KMT2A (0.52) KMT2AGCKAKR1C3PTGS2MEN1
SCHEMBL2648505 1.00 KMT2A (0.52) KMT2AGCKAKR1C3PTGS2MEN1
SCHEMBL2647611 1.00 KMT2A (0.52) KMT2AGCKAKR1C3PTGS2MEN1
SCHEMBL2648509 1.00 KMT2A (0.52) KMT2AGCKAKR1C3PTGS2MEN1
SCHEMBL2647608 1.00 KMT2A (0.52) KMT2AGCKAKR1C3PTGS2MEN1
SCHEMBL1582018 0.86 KMT2A (0.46) KMT2AGCKAKR1C3PTGS2
SCHEMBL1582021 0.86 KMT2A (0.46) KMT2AGCKAKR1C3PTGS2
SCHEMBL2645359 0.85 AKR1C3 (0.56) KMT2AAKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL2645355 0.85 AKR1C3 (0.56) KMT2AAKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL2646015 0.85 AKR1C3 (0.56) KMT2AAKR1C3PTGS2AKR1C2AKR1C1

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
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
EP-1242397-B1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2005-09-28 EP disclosed
EP-1169312-B1 GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-06 EP 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
EP-1242397-A1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-25 EP disclosed
US-6353111-B1 WHICH INCREASE INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES; 2,3-DI-SUBSTITUTED TRANS OLEFINIC N-HETEROAROMATIC OR URIDO PROPIONAMIDES: THE SUBSTITUTION AT THE 2-POSITION BEING A SUBSTITUTED PHENYL GROUP AND AT THE 3-POSITION A HOFFMANN-LA ROCHE INC. 2002-03-05 US disclosed
EP-1169312-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-09 EP disclosed
US-6320050-B1 2-SUBSTITUTED PHENYL-3-CYCLOALKYL SUBSTITUTED N-HETEROAROMATIC PROPIONAMIDES; USED TO INCREASE INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES. HOFFMANN-LA ROCHE INC. 2001-11-20 US disclosed
US-20010039344-A1 Heteroaromatic glucokinase activators HOFFMANN-LA ROCHE INC. 2001-11-08 US disclosed
WO-2001044216-A1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-06-21 WO disclosed
WO-2000058293-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-05 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 (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 KMT2A 1970/4885GCK 2/4885AKR1C3 1529/4885
US-20010039344-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK KMT2A 2763/4885GCK 2/4885AKR1C3 1475/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK KMT2A 1970/4885GCK 2/4885AKR1C3 1529/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK KMT2A 1970/4885GCK 2/4885AKR1C3 1529/4885

“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.