Sugi Predict

Sugi Predict / Compounds / SCHEMBL5529673

SCHEMBL5529673

SCHEMBL5529673

CC(C)(C)c1ccc(CN(CCc2ccc(Cl)c(C(F)(F)F)c2)C(=O)c2nc(C(F)(F)F)cc3cc[nH]c23)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK8 P49336 2/20 0.35
▸ TRPV1 Q8NER1 1/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ KDM4A O75164 1/20 0.33
▸ KDM5A P29375 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ PIN1 Q13526 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ GPR84 Q9NQS5 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ PYCR1 P32322 1/20 0.32
▸ ESRRG P62508 1/20 0.32
▸ RAPGEF3 O95398 2/20 0.31
▸ RAPGEF4 Q8WZA2 2/20 0.31
▸ LPAR1 Q92633 1/20 0.31
▸ LPAR5 Q9H1C0 1/20 0.31
▸ CENPE Q02224 1/20 0.31
▸ FABP4 P15090 1/20 0.31
▸ RAF1 P04049 2/20 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
SCHEMBL5530101 0.93 TRPM8 (0.34) CDK8TRPV1TRPM8PIN1THRB
SCHEMBL5537737 0.92 GRM5 (0.35) CDK8TRPV1TRPM8KDM4AKDM5A
SCHEMBL5527991 0.92 PTPN7 (0.36) TRPV1TRPM8PIN1P2RX7ESRRG
SCHEMBL5526900 0.89 KDM4A (0.39) CDK8TRPV1TRPM8KDM4AKDM5A
SCHEMBL5531078 0.87 LMNA (0.36) TRPM8PIN1ESRRGLPAR1LPAR5
SCHEMBL5531836 0.87 SLC2A1 (0.37) CDK8PIN1
SCHEMBL1386433 0.85 TRPV1 (0.35) CDK8TRPV1TRPM8KDM4AKDM5A
SCHEMBL5528458 0.83 GRM5 (0.38) TRPM8PIN1P2RX7ESRRGLPAR1
SCHEMBL5529641 0.83 PPARG (0.37) TRPM8PIN1LPAR1LPAR5
SCHEMBL5529652 0.83 ESRRG (0.34) CDK8PIN1THRBESRRGCENPE

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 CDK8 3809/4885TRPV1 3787/4885TRPM8 4627/4885

“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.