SCHEMBL1263530

SCHEMBL1263530

CC(C)Oc1cc(OC(C)C)cc(C(=O)Nc2nc(CSCC(=O)O)cs2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCK P35557 7/20 0.49
MAPK1 P28482 2/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
PDE5A O76074 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
RARA P10276 1/20 0.42
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KCNH2 Q12809 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL1263542 0.93 GCK (0.55) GCKMAPK1ADORA3KCNH2
SCHEMBL1262163 0.92 GCK (0.49) GCKMAPK1HTTLMNATSHR
SCHEMBL1263204 0.90 GCK (0.48) GCKMAPK1HTTLMNATSHR
SCHEMBL1261617 0.86 GCK (0.54) GCKMAPK1ADORA3KCNH2
SCHEMBL2669485 0.86 GCK (0.53) GCKMAPK1HTTLMNATSHR
SCHEMBL1263010 0.84 MAPK1 (0.53) GCKMAPK1HTTLMNATSHR
SCHEMBL1263443 0.83 GCK (0.53) GCKMAPK1ADORA3KCNH2
SCHEMBL2664574 0.82 GCK (0.52) GCKMAPK1HTTPDE5AADORA3
SCHEMBL1261521 0.81 GCK (0.58) GCKRARGKCNH2
SCHEMBL1263533 0.80 GCK (0.52) GCKMAPK1HTTLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230529-A1 BENZAMIDE GLUCOKINASE ACTIVATORS TRANSTECH PHARMA, INC. (US) 2011-09-22 US disclosed
US-20110230529-A1 BENZAMIDE GLUCOKINASE ACTIVATORS TRANSTECH PHARMA, INC. (US) 2011-09-22 US disclosed
US-20110230529-A1 BENZAMIDE GLUCOKINASE ACTIVATORS TRANSTECH PHARMA, INC. (US) 2011-09-22 US disclosed
US-7880012-B2 e.g. 3-[2-(3-Isopropoxy-5-phenoxy-benzoylamino)-thiazol-5-yl-sulfanyl]-propionic acid methyl ester; metabolic disorder, blood glucose lowering, hyperglycemia, impaired glucose tolerance (IGT), Syndrome X, Polycystic Ovarian Syndrome, type I and type II diabetes, dyslipidemia, hyperlipidemia etc. TRANSTECH PHARMA, INC. (US) 2011-02-01 US disclosed
US-7880012-B2 e.g. 3-[2-(3-Isopropoxy-5-phenoxy-benzoylamino)-thiazol-5-yl-sulfanyl]-propionic acid methyl ester; metabolic disorder, blood glucose lowering, hyperglycemia, impaired glucose tolerance (IGT), Syndrome X, Polycystic Ovarian Syndrome, type I and type II diabetes, dyslipidemia, hyperlipidemia etc. TRANSTECH PHARMA, INC. (US) 2011-02-01 US disclosed
US-7880012-B2 e.g. 3-[2-(3-Isopropoxy-5-phenoxy-benzoylamino)-thiazol-5-yl-sulfanyl]-propionic acid methyl ester; metabolic disorder, blood glucose lowering, hyperglycemia, impaired glucose tolerance (IGT), Syndrome X, Polycystic Ovarian Syndrome, type I and type II diabetes, dyslipidemia, hyperlipidemia etc. TRANSTECH PHARMA, INC. (US) 2011-02-01 US disclosed
US-20090176991-A1 BENZAMIDE GLUCOKINASE ACTIVATORS TRANSTECH PHARMA, LLC 2009-07-09 US disclosed
US-20090176991-A1 BENZAMIDE GLUCOKINASE ACTIVATORS TRANSTECH PHARMA, LLC 2009-07-09 US disclosed
US-20090176991-A1 BENZAMIDE GLUCOKINASE ACTIVATORS TRANSTECH PHARMA, LLC 2009-07-09 US disclosed
WO-2007125103-A2 BENZAMIDE GLUCOKINASE ACTIVATORS TRANSTECH PHARMA, INC. (US) 2007-11-08 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 (2 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-20090176991-A1 BENZAMIDE GLUCOKINASE ACTIVATORS GCK, GCKR, KHK GCK 1/4885MAPK1 2505/4885HTT 1800/4885
US-20110230529-A1 BENZAMIDE GLUCOKINASE ACTIVATORS GCK, GCKR, KHK GCK 1/4885MAPK1 2505/4885HTT 1800/4885

“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.