Sugi Predict

Sugi Predict / Compounds / SCHEMBL256910

SCHEMBL256910

SCHEMBL256910

CC(=O)NC(C)Cc1ccc(C#Cc2ccc(C(=O)NCc3cccnc3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 19/20 1.00
▸ ALDH1A1 P00352 1/20 0.58
▸ HTT P42858 1/20 0.58

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
SCHEMBL12001682 0.91 ACACB (0.83) ACACBALDH1A1HTT
SCHEMBL256115 0.87 ACACB (1.00) ACACB
SCHEMBL255745 0.87 ACACB (1.00) ACACB
SCHEMBL256108 0.82 ACACB (1.00) ACACB
SCHEMBL256340 0.81 ACACB (1.00) ACACB
SCHEMBL16063362 0.80 ACACB (1.00) ACACB
SCHEMBL256111 0.79 ACACB (1.00) ACACB
SCHEMBL256899 0.79 ACACB (1.00) ACACB
SCHEMBL9657331 0.78 ACACB (0.65) ACACB
SCHEMBL255718 0.78 ACACB (1.00) ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611771-B1 SUBSTITUTED HETEROARYL- AND ARYLALKYNYL BENZENE DERIVATIVES AS ACC-INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-11-23 — — EP disclosed
US-8835472-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 — — US disclosed
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 — — WO disclosed