SCHEMBL2647407

SCHEMBL2647407

CCOC(=O)Cc1ccc(SC)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
LDHA P00338 2/20 0.44
TSHR P16473 3/20 0.44
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 2/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
CRHBP P24387 1/20 0.44
HTT P42858 1/20 0.44
CRHR2 Q13324 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
SIGMAR1 Q99720 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP4Z1 Q86W10 1/20 0.42
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL1865811 0.85 ALDH1A1 (0.53) MAPTLDHATSHRALDH1A1LMNA
SCHEMBL2646637 0.83 TSHR (0.60) MAPTTSHRALDH1A1L3MBTL1HSD17B10
SCHEMBL31441301 0.83 TSHR (0.60) MAPTTSHRALDH1A1L3MBTL1HSD17B10
SCHEMBL13742168 0.82 MAPT (0.41) MAPTLDHATSHRALDH1A1L3MBTL1
SCHEMBL2666080 0.82 LMNA (0.44) MAPTLDHATSHRALDH1A1L3MBTL1
SCHEMBL6938837 0.80 PPARG (0.43) MAPTLDHATSHRALDH1A1L3MBTL1
SCHEMBL13742649 0.80 PDE7A (0.51) MAPTLDHATSHRALDH1A1L3MBTL1
SCHEMBL1558288 0.80 CA2 (0.60) MAPTTSHRALDH1A1L3MBTL1ALOX15
SCHEMBL2162178 0.80 CA2 (0.59) MAPTTSHRALDH1A1HSD17B10KDM4E
SCHEMBL14355057 0.80 CA2 (0.42) MAPTTSHRL3MBTL1LMNAHTT

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
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-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-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-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 MAPT 4407/4885LDHA 2346/4885TSHR 3216/4885
US-20010039344-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK MAPT 4402/4885LDHA 1807/4885TSHR 3092/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK MAPT 4407/4885LDHA 2346/4885TSHR 3216/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK MAPT 4407/4885LDHA 2346/4885TSHR 3216/4885

“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.