SCHEMBL1263129

SCHEMBL1263129

CCOC(=O)CSc1cnc(NC(=O)c2cc(OCc3ccccc3)cc(O[C@@H](C)COC)c2)s1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.53
CCNE2 O96020 2/20 0.53
CDK1 P06493 2/20 0.53
CDK4 P11802 2/20 0.53
CCNB1 P14635 2/20 0.53
CCND1 P24385 2/20 0.53
CCNE1 P24864 2/20 0.53
CDK2 P24941 2/20 0.53
CCNB3 Q8WWL7 2/20 0.53
GCK P35557 17/20 0.49
RARA P10276 1/20 0.49
RARB P10826 1/20 0.49
KCNH2 Q12809 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL1262333 0.93 GCK (0.49) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL1263201 0.93 GCK (0.48) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL1261704 0.91 GCK (0.53) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL1262206 0.91 GCK (0.57) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL1263197 0.90 CCNB2 (0.47) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL1263427 0.89 CCNB2 (0.47) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL1262941 0.87 GCK (0.51) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL1262238 0.86 GCK (0.57) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL1262422 0.86 GCK (0.56) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL1262960 0.86 GCK (0.48) CCNE2CCNE1CDK2GCKRARA

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 12 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
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
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 CCNB2 3675/4885CCNE2 3177/4885CDK1 2199/4885
US-20110230529-A1 BENZAMIDE GLUCOKINASE ACTIVATORS GCK, GCKR, KHK CCNB2 3675/4885CCNE2 3177/4885CDK1 2199/4885

“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.