Sugi Predict

Sugi Predict / Compounds / SCHEMBL5522276

SCHEMBL5522276

SCHEMBL5522276

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ GRM5 P41594 5/20 0.39
▸ ESRRG P62508 1/20 0.37
▸ MCHR1 Q99705 1/20 0.36
▸ PIN1 Q13526 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ PTGER2 P43116 2/20 0.34
▸ F2 P00734 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ F7 P08709 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL5536102 0.93 GRM5 (0.40) MAPTTP53GRM5ESRRGPIN1
SCHEMBL5527675 0.92 PIN1 (0.44) MAPTGRM5ESRRGPIN1MEN1
SCHEMBL5527638 0.90 TP53 (0.40) MAPTTP53ESRRGMCHR1PIN1
SCHEMBL5537716 0.90 GRM5 (0.36) MAPTTP53GRM5ESRRGPIN1
SCHEMBL5528458 0.89 GRM5 (0.38) MAPTTP53GRM5ESRRGPIN1
SCHEMBL5531707 0.89 GRM5 (0.36) MAPTTP53GRM5ESRRGPIN1
SCHEMBL5530770 0.87 GRM5 (0.38) MAPTTP53GRM5ESRRGPIN1
SCHEMBL5524589 0.87 GRM5 (0.40) GRM5PIN1LMNAKMT2A
SCHEMBL5529661 0.86 TP53 (0.43) MAPTTP53GRM5ESRRGMCHR1
SCHEMBL3272609 0.86 GRM5 (0.41) GRM5LMNA

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 MAPT 1897/4885TP53 3316/4885GRM5 4093/4885

“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.