Sugi Predict

Sugi Predict / Compounds / SCHEMBL5529641

SCHEMBL5529641

SCHEMBL5529641

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.37
▸ PPARD Q03181 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ SLC2A1 P11166 2/20 0.36
▸ SLC6A9 P48067 3/20 0.35
▸ PTGER2 P43116 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ KCNH2 Q12809 2/20 0.34
▸ PIN1 Q13526 1/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ LPAR1 Q92633 2/20 0.34
▸ LPAR5 Q9H1C0 2/20 0.34
▸ SLC6A5 Q9Y345 1/20 0.34

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) PPARGPPARDPPARASLC2A1SLC6A9
SCHEMBL5529637 0.91 ATM (0.36) PPARGPPARDPPARASLC2A1SLC6A9
SCHEMBL5531836 0.90 SLC2A1 (0.37) PPARGPPARDPPARASLC2A1KCNH2
SCHEMBL5529903 0.88 SLC2A1 (0.38) PPARGPPARDPPARASLC2A1SLC6A9
SCHEMBL5531078 0.85 LMNA (0.36) KCNH2PIN1TRPM8LPAR1LPAR5
SCHEMBL5527991 0.85 PTPN7 (0.36) SLC6A9KCNH2PIN1TRPM8LPAR1
SCHEMBL5530101 0.85 TRPM8 (0.34) KCNH2PIN1TRPM8
SCHEMBL1387045 0.84 LPAR1 (0.38) PPARGPPARDPPARASLC2A1SLC6A9
SCHEMBL5522295 0.83 GRM5 (0.38) PPARGPPARDPPARASLC2A1PTGER2
SCHEMBL5529673 0.83 CDK8 (0.35) PIN1TRPM8LPAR1LPAR5

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 PPARG 69/4885PPARD 92/4885PPARA 34/4885

“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.