Sugi Predict

Sugi Predict / Compounds / SCHEMBL5522295

SCHEMBL5522295

SCHEMBL5522295

Cc1cc2cc[nH]c2c(C(=O)N(CCc2cccc(OC(F)F)c2)Cc2ccc(C(C)(C)C)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 5/20 0.38
▸ LPAR1 Q92633 3/20 0.34
▸ LPAR5 Q9H1C0 3/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PTGER2 P43116 2/20 0.34
▸ 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
▸ SLC2A1 P11166 1/20 0.33
▸ MEP1B Q16820 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ PIN1 Q13526 1/20 0.33
▸ DAO P14920 1/20 0.33
▸ HTR5A P47898 1/20 0.32

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 0.92 GRM5 (0.38) GRM5LPAR1LPAR5TP53MAPT
SCHEMBL5527035 0.89 PTGER2 (0.37) GRM5LPAR1LPAR5TP53MAPT
SCHEMBL5524589 0.87 GRM5 (0.40) GRM5SLC2A1PIN1
SCHEMBL5527675 0.86 PIN1 (0.44) GRM5LPAR1LPAR5MAPTPIN1
SCHEMBL5522276 0.84 MAPT (0.41) GRM5TP53MAPTPTGER2CA12
SCHEMBL5536102 0.84 GRM5 (0.40) GRM5TP53MAPTPIN1
SCHEMBL5529641 0.83 PPARG (0.37) LPAR1LPAR5PTGER2CA12CA1
SCHEMBL5529637 0.83 ATM (0.36) LPAR1LPAR5PTGER2CA12CA1
SCHEMBL1385936 0.83 LPAR1 (0.37) LPAR1LPAR5TP53MAPTCA12
SCHEMBL5530770 0.82 GRM5 (0.38) GRM5TP53MAPTPIN1

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 4093/4885LPAR1 846/4885LPAR5 868/4885

“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.