SCHEMBL5420160

SCHEMBL5420160

COc1ccc(Oc2nccs2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.43
DYRK1A Q13627 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HPGD P15428 1/20 0.42
FBP1 P09467 1/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
S1PR4 O95977 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
HTR2A P28223 1/20 0.38
SLC5A2 P31639 1/20 0.38
SCN1A P35498 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
KCNMA1 Q12791 1/20 0.37
CA12 O43570 1/20 0.37

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
SCHEMBL5426770 0.85 ACACB (0.48) ACACB
SCHEMBL5416287 0.82 ACACB (0.49) ACACB
SCHEMBL22000038 0.81 SLC6A2 (0.46) SLC6A4SLC6A2SLC6A3HPGDFBP1
SCHEMBL5567324 0.79 TSHR (0.37) SLC6A4DYRK1AFBP1HTR2ACA1
SCHEMBL4740349 0.79 ESR1 (0.41) SLC6A2SLC6A3HPGDFBP1SLC5A2
SCHEMBL4743684 0.77 FBP1 (0.51) FBP1HCRTR1HCRTR2SCN1ACA12
SCHEMBL5431733 0.75 TLR4 (0.52) DYRK1AFBP1HCRTR1HCRTR2NPC1
SCHEMBL12475820 0.74 ACACB (0.44) SLC6A4DYRK1ASLC6A2SLC6A3HPGD
SCHEMBL5425801 0.73 TLR4 (0.41) HCRTR1HCRTR2SLC5A2ACACB
SCHEMBL11590115 0.72 AKR1C3 (0.42) 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 2 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-20070225332-A1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBVIE INC. 2007-09-27 US 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 (1 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-20070225332-A1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ACACA, ACACB, ACAT1 SLC6A4 4568/4885DYRK1A 4209/4885SLC6A2 3987/4885

“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.