SCHEMBL1261486

SCHEMBL1261486

CC(C)Oc1cc(OC(C)C)cc(C(=O)Nc2ncc(Br)s2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 13/20 0.47
▸ RARA P10276 1/20 0.47
▸ RARB P10826 1/20 0.47
▸ RARG P13631 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ MAPK10 P53779 1/20 0.44
▸ CSNK2A2 P19784 1/20 0.44
▸ CSNK2B P67870 1/20 0.44
▸ CSNK2A1 P68400 1/20 0.44
▸ CSNK2A3 Q8NEV1 1/20 0.44
▸ CCNE1 P24864 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CDK5 Q00535 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
SCHEMBL1261510 0.90 GCK (0.62) GCKCSNK2A2CSNK2A1CCNE1CDK2
SCHEMBL12021564 0.87 GCK (0.52) GCK
SCHEMBL12021350 0.85 GCK (0.52) GCKRARARARBRARGCSNK2A2
SCHEMBL2664723 0.84 GCK (0.51) GCKRARARARBRARGCSNK2A2
SCHEMBL1262258 0.83 TSHR (0.52) NPC1LMNARAB9ASMN1; SMN2PKM
SCHEMBL1263087 0.79 GCK (0.45) GCKRARARARBRARGCSNK2A2
SCHEMBL2664776 0.79 GCK (0.60) GCKRARARARBRARGNPC1
SCHEMBL13888268 0.78 SMN1; SMN2 (0.50) GCKNPC1LMNARAB9ASMN1; SMN2
SCHEMBL1262354 0.78 ITK (0.43) GCKRARARARBRARGCSNK2A2
SCHEMBL1262260 0.78 GCK (0.47) GCKRARARARBRARGCSNK2A2

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 GCK 1/4885RARA 3803/4885RARB 4051/4885
US-20110230529-A1 BENZAMIDE GLUCOKINASE ACTIVATORS GCK, GCKR, KHK GCK 1/4885RARA 3803/4885RARB 4051/4885

“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.

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