Sugi Predict

Sugi Predict / Compounds / SCHEMBL5529637

SCHEMBL5529637

SCHEMBL5529637

CC(C)(C)c1ccc(CN(CCc2cccc(OC(F)(F)F)c2)C(=O)c2nc(Cl)cc3cc[nH]c23)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.36
▸ PPARG P37231 2/20 0.36
▸ PPARD Q03181 2/20 0.36
▸ PPARA Q07869 2/20 0.36
▸ LPAR1 Q92633 2/20 0.35
▸ LPAR5 Q9H1C0 2/20 0.35
▸ SLC6A9 P48067 2/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ SLC2A1 P11166 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ CETP P11597 1/20 0.33
▸ HTR5A P47898 1/20 0.33
▸ PTGER2 P43116 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA9 Q16790 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
SCHEMBL5527039 0.91 GRM5 (0.38) PPARGPPARDPPARALPAR1LPAR5
SCHEMBL5529641 0.91 PPARG (0.37) PPARGPPARDPPARALPAR1LPAR5
SCHEMBL5526790 0.89 SLC2A1 (0.36) ATMCNR1SLC2A1
SCHEMBL5529903 0.88 SLC2A1 (0.38) PPARGPPARDPPARALPAR1LPAR5
SCHEMBL1387045 0.87 LPAR1 (0.38) ATMPPARGPPARDPPARALPAR1
SCHEMBL5527638 0.84 TP53 (0.40) SLC2A1PTGER2CA12CA1CA2
SCHEMBL5529652 0.84 ESRRG (0.34) —
SCHEMBL5522295 0.83 GRM5 (0.38) PPARGPPARDPPARALPAR1LPAR5
SCHEMBL5533022 0.82 SLC6A9 (0.36) PPARGPPARDPPARALPAR1LPAR5
SCHEMBL5527035 0.80 PTGER2 (0.37) PPARGPPARDPPARALPAR1LPAR5

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 ATM 1856/4885PPARG 69/4885PPARD 92/4885

“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.