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Sugi Predict / Compounds / SCHEMBL5533022

SCHEMBL5533022

SCHEMBL5533022

CC(C)(C)c1ccc(CN(CCc2cccc(OC(F)(F)F)c2)C(=O)c2ncc(F)c3cc[nH]c23)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 4/20 0.36
▸ PTGER2 P43116 2/20 0.36
▸ KCNH2 Q12809 3/20 0.36
▸ SLC2A1 P11166 2/20 0.36
▸ PPARG P37231 1/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ VNN1 O95497 1/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ LPAR1 Q92633 1/20 0.33
▸ LPAR5 Q9H1C0 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SLC6A5 Q9Y345 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
SCHEMBL5531743 0.89 SLC2A1 (0.38) SLC2A1TP53MAPT
SCHEMBL5529903 0.86 SLC2A1 (0.38) SLC6A9PTGER2KCNH2SLC2A1PPARG
SCHEMBL5535054 0.86 BTK (0.36) SLC6A9KCNH2TRPM8LPAR1LPAR5
SCHEMBL5531820 0.84 TP53 (0.41) PTGER2CA12CA1CA2CA9
SCHEMBL5528167 0.84 CENPE (0.34) KCNH2TRPM8TP53MAPT
SCHEMBL5526906 0.84 ESRRG (0.36) LPAR1LPAR5TP53MAPT
SCHEMBL5528436 0.83 TRPM8 (0.34) TRPM8
SCHEMBL5527039 0.83 GRM5 (0.38) SLC6A9KCNH2SLC2A1PPARGPPARD
SCHEMBL5529641 0.82 PPARG (0.37) SLC6A9PTGER2KCNH2SLC2A1PPARG
SCHEMBL5529637 0.82 ATM (0.36) SLC6A9PTGER2KCNH2SLC2A1PPARG

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 SLC6A9 4175/4885PTGER2 2581/4885KCNH2 2584/4885

“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.