Sugi Predict

Sugi Predict / Compounds / SCHEMBL5528458

SCHEMBL5528458

SCHEMBL5528458

Cc1cc2cc[nH]c2c(C(=O)N(CCc2ccc(F)c(C(F)(F)F)c2)Cc2ccc(C(C)(C)C)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 5/20 0.38
▸ PTPN7 P35236 1/20 0.34
▸ DUSP3 P51452 1/20 0.34
▸ NR3C2 P08235 1/20 0.33
▸ TRPM8 Q7Z2W7 2/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ESRRG P62508 2/20 0.32
▸ SLC6A9 P48067 2/20 0.32
▸ KCNH2 Q12809 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ SLC6A5 Q9Y345 1/20 0.32
▸ LPAR1 Q92633 1/20 0.32
▸ LPAR5 Q9H1C0 1/20 0.32
▸ PIN1 Q13526 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ BTK Q06187 1/20 0.31

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
SCHEMBL5537737 0.92 GRM5 (0.35) GRM5TRPM8P2RX7ESRRGLPAR1
SCHEMBL5527991 0.92 PTPN7 (0.36) PTPN7DUSP3NR3C2TRPM8P2RX7
SCHEMBL5531707 0.90 GRM5 (0.36) GRM5P2RX7TP53MAPTESRRG
SCHEMBL5522276 0.89 MAPT (0.41) GRM5TP53MAPTESRRGPIN1
SCHEMBL5524589 0.88 GRM5 (0.40) GRM5PIN1
SCHEMBL5530729 0.88 NR3C2 (0.39) GRM5PTPN7DUSP3NR3C2TRPM8
SCHEMBL5537716 0.87 GRM5 (0.36) GRM5TP53MAPTESRRGKCNH2
SCHEMBL5536102 0.87 GRM5 (0.40) GRM5TP53MAPTESRRGKCNH2
SCHEMBL5527675 0.86 PIN1 (0.44) GRM5MAPTESRRGLPAR1LPAR5
SCHEMBL5530770 0.85 GRM5 (0.38) GRM5TP53MAPTESRRGPIN1

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 GRM5 4093/4885PTPN7 429/4885DUSP3 4554/4885

“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.