Sugi Predict

Sugi Predict / Compounds / SCHEMBL5527638

SCHEMBL5527638

SCHEMBL5527638

CC(C)(C)c1ccc(CN(CCc2ccc(F)cc2)C(=O)c2nc(Cl)cc3cc[nH]c23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ESRRG P62508 1/20 0.36
▸ MCHR1 Q99705 1/20 0.35
▸ PIN1 Q13526 1/20 0.35
▸ CENPE Q02224 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ LMNA P02545 3/20 0.33
▸ PTGER2 P43116 2/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ F7 P08709 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
SCHEMBL5522276 0.90 MAPT (0.41) TP53MAPTESRRGMCHR1PIN1
SCHEMBL5529652 0.89 ESRRG (0.34) TP53MAPTESRRGPIN1CENPE
SCHEMBL5526790 0.87 SLC2A1 (0.36) PIN1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL5529661 0.85 TP53 (0.43) TP53MAPTESRRGMCHR1PIN1
SCHEMBL5529637 0.84 ATM (0.36) CA12CA1CA2CA9PTGER2
SCHEMBL5531707 0.82 GRM5 (0.36) TP53MAPTESRRGPIN1CENPE
SCHEMBL5536102 0.82 GRM5 (0.40) TP53MAPTESRRGPIN1MEN1
SCHEMBL5527675 0.81 PIN1 (0.44) MAPTESRRGPIN1MEN1KMT2A
SCHEMBL5531078 0.81 LMNA (0.36) TP53MAPTESRRGPIN1LMNA
SCHEMBL5530770 0.81 GRM5 (0.38) TP53MAPTESRRGPIN1CENPE

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 TP53 3316/4885MAPT 1897/4885ESRRG 2624/4885

“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.