SCHEMBL1619987

SCHEMBL1619987

CC(C)Oc1ccc(Oc2nccs2)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 17/20 0.45
ACACA Q13085 6/20 0.45
GCK P35557 1/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL5429518 0.83 ACACB (0.53) ACACBACACACYP2C9CYP2C19
SCHEMBL5420220 0.83 ACACB (0.46) ACACBACACA
SCHEMBL9273866 0.82 ALDH1A1 (0.41) ACACBACACALMNA
SCHEMBL4743684 0.80 FBP1 (0.51) ACACBACACACYP2C9CYP2C19LMNA
SCHEMBL26298581 0.80 ALDH1A1 (0.49) ACACBACACACYP2C9CYP2C19
SCHEMBL11036465 0.80 ACACB (0.44) ACACBACACALMNA
SCHEMBL5426770 0.79 ACACB (0.48) ACACBACACAGCKCYP2C9CYP2C19
SCHEMBL1367047 0.79
SCHEMBL22967570 0.79 ACACB (0.46) ACACBACACALMNA
SCHEMBL25369458 0.77 FBP1 (0.43) ACACBACACALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748627-B2 Acetyl-CoA carboxylase (ACC) inhibitors and their use in diabetes, obesity and metabolic syndrome ABBVIE INC. (US) 2014-06-10 US disclosed
US-8735595-B2 Acetyl-CoA carboxylase (ACC) inhibitors and their use in diabetes, obesity and metabolic syndrome ABBVIE INC. (US) 2014-05-27 US disclosed
CN-101384568-B Acetyl-CoA carboxylase (ACC) inhibitors and their use in diabetes, obesity and metabolic syndrome ABBOTT LAB 2012-12-12 CN disclosed
US-7928243-B2 e.g. N-{(2Z)-3-[4-(4-isopropoxyphenoxy)phenyl]-1-methylprop-2-enyl}acetamide; antidiabetic agent; type II diabetes, atherosclerosis and cardiovascular diseases ABBOTT LABORATORIES (US) 2011-04-19 US disclosed
EP-1999119-A2 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME Abbott Laboratories (US) 2008-12-10 EP disclosed
EP-1991536-A2 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME Abbott Laboratories (US) 2008-11-19 EP disclosed
US-20080161368-A1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBVIE INC. 2008-07-03 US disclosed
US-20070225332-A1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBVIE INC. 2007-09-27 US disclosed
US-20070219251-A1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBVIE INC. 2007-09-20 US disclosed
WO-2007095603-A2 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBOTT LABORATORIES (US) 2007-08-23 WO disclosed
WO-2007095602-A2 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBOTT LABORATORIES (US) 2007-08-23 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 (3 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-20070219251-A1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ACACA, ACACB, ACAT1 ACACB 2/4885ACACA 1/4885GCK 403/4885
US-20080161368-A1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ACACA, ACACB, ACAT1 ACACB 2/4885ACACA 1/4885GCK 240/4885
US-20070225332-A1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ACACA, ACACB, ACAT1 ACACB 2/4885ACACA 1/4885GCK 381/4885

“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.