Sugi Predict

Sugi Predict / Compounds / SCHEMBL5525832

SCHEMBL5525832

SCHEMBL5525832

CC(C)(C)c1ccc(CN(CCc2ccc(Cl)c(Cl)c2)C(=O)c2nccc3cn[nH]c23)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ ESRRG P62508 1/20 0.33
▸ CENPE Q02224 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ CLK2 P49760 4/20 0.33
▸ DYRK1A Q13627 4/20 0.33
▸ CLK4 Q9HAZ1 4/20 0.33
▸ AURKA O14965 1/20 0.33
▸ DYRK3 O43781 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ PRKCG P05129 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ RPS6KB1 P23443 1/20 0.33
▸ MARK3 P27448 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ CSNK1D P48730 1/20 0.33
▸ GSK3A P49840 1/20 0.33

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
SCHEMBL5533007 0.91 KDM4A (0.38) HDAC6THRBKDM4AKDM5BKDM5A
SCHEMBL5529262 0.87 HDAC6 (0.35) HDAC6MAOBESRRGCENPETHRB
SCHEMBL5526793 0.85 SLC2A1 (0.40) HDAC6ROCK1PIN1
SCHEMBL5532077 0.79 SLC6A9 (0.34) HDAC6MAOBESRRGCENPETHRB
SCHEMBL5530082 0.78 ESRRG (0.33) ESRRGCENPETHRBKDM4AKDM5B
SCHEMBL5526900 0.78 KDM4A (0.39) HDAC6THRBKDM4AKDM5BKDM5A
SCHEMBL5528167 0.78 CENPE (0.34) ESRRGCENPETHRBTRPM8PIN1
SCHEMBL5529652 0.77 ESRRG (0.34) MAOBESRRGCENPETHRBCLK4
SCHEMBL5530770 0.76 GRM5 (0.38) MAOBESRRGCENPECLK4NR1I3
SCHEMBL9957841 0.76 ESRRG (0.39) ESRRGROCK2TP53MAPT

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-20070185154-A1 1H-pyrrolo[2,3-c]pyridine-7-carboxylic acid (4-tert-butyl-benzyl)-[2-(4-fluoro-3-trifluoromethyl-phenyl)-ethyl]-amide; cardiovascular diseases such as atherosclerosis, peripheral vascular disease, dyslipidemia, hyperbetalipoproteinemia, hypoalphalipoproteinemia, hypercholesterolemia, hypertriglyceridemi HOFFMANN-LA ROCHE INC. 2007-08-09 — — US claimed
US-20070185154-A1 1H-pyrrolo[2,3-c]pyridine-7-carboxylic acid (4-tert-butyl-benzyl)-[2-(4-fluoro-3-trifluoromethyl-phenyl)-ethyl]-amide; cardiovascular diseases such as atherosclerosis, peripheral vascular disease, dyslipidemia, hyperbetalipoproteinemia, hypoalphalipoproteinemia, hypercholesterolemia, hypertriglyceridemi HOFFMANN-LA ROCHE INC. 2007-08-09 — — 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-20070185154-A1 1H-pyrrolo[2,3-c]pyridine-7-carboxylic acid (4-tert-butyl-benzyl)-[2-(4-fluoro-3-trifluoromethyl-phenyl)-ethyl]-amide; cardiovascular diseases such as atherosclerosis, peripheral vascular disease, dyslipidemia, hyperbetalipoproteinemia, hypoalphalipoproteinemia, hypercholesterolemia, hypertriglyceridemi APOB, CETP, LIPC HDAC6 2221/4885MAOB 2307/4885ESRRG 2624/4885

“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.