SCHEMBL1263010

SCHEMBL1263010

CCOC(=O)CCSCc1csc(NC(=O)c2cc(OC(C)C)cc(OC(C)C)c2)n1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.53
HTT P42858 2/20 0.53
LMNA P02545 2/20 0.50
TSHR P16473 2/20 0.50
MAPT P10636 5/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
GCK P35557 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL1263533 0.93 GCK (0.52) MAPK1HTTLMNATSHRMAPT
SCHEMBL1263204 0.89 GCK (0.48) MAPK1HTTLMNATSHRGCK
SCHEMBL2656554 0.85 MAPK1 (0.72) MAPK1HTTLMNATSHRMAPT
SCHEMBL1263530 0.84 GCK (0.49) MAPK1HTTLMNATSHRMAPT
SCHEMBL1262163 0.84 GCK (0.49) MAPK1HTTLMNATSHRMAPT
SCHEMBL1262940 0.83 GCK (0.57) MAPK1HTTGCK
SCHEMBL1263443 0.82 GCK (0.53) MAPK1GCK
SCHEMBL1262388 0.81 GCK (0.71) GCK
SCHEMBL2660629 0.78 MAPK1 (0.65) MAPK1HTTLMNATSHRMAPT
SCHEMBL1263542 0.78 GCK (0.55) MAPK1GCK

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 5 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-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
EP-2019824-A2 BENZAMIDE GLUCOKINASE ACTIVATORS Transtech Pharma, Inc. (US) 2009-02-04 EP 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 MAPK1 2505/4885HTT 1800/4885LMNA 3482/4885
US-20110230529-A1 BENZAMIDE GLUCOKINASE ACTIVATORS GCK, GCKR, KHK MAPK1 2505/4885HTT 1800/4885LMNA 3482/4885

“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.