Sugi Predict

Sugi Predict / Compounds / SCHEMBL5533007

SCHEMBL5533007

SCHEMBL5533007

CC(C)(C)c1ccc(CN(CCc2ccc(Cl)c(C(F)(F)F)c2)C(=O)c2nccc3cn[nH]c23)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 1/20 0.38
▸ KDM5A P29375 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.38
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ THRB P10828 1/20 0.34
▸ RAF1 P04049 3/20 0.33
▸ BRAF P15056 2/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ P2RX7 Q99572 2/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.32
▸ NR3C1 P04150 2/20 0.32
▸ KDM4C Q9H3R0 1/20 0.31
▸ TRPV1 Q8NER1 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
SCHEMBL5525832 0.91 HDAC6 (0.34) KDM4AKDM5AKDM5BTRPM8THRB
SCHEMBL5526900 0.88 KDM4A (0.39) KDM4AKDM5AKDM5BTRPM8THRB
SCHEMBL5526793 0.87 SLC2A1 (0.40) HDAC6
SCHEMBL5528436 0.80 TRPM8 (0.34) KDM4AKDM5AKDM5BCYP3A4TRPM8
SCHEMBL5530729 0.79 NR3C2 (0.39) CYP3A4TRPM8CDK8P2RX7HDAC6
SCHEMBL5529262 0.78 HDAC6 (0.35) KDM4AKDM5AKDM5BTHRBRAF1
SCHEMBL5529673 0.78 CDK8 (0.35) KDM4AKDM5AKDM5BTRPM8THRB
SCHEMBL5537737 0.78 GRM5 (0.35) KDM4AKDM5AKDM5BTRPM8THRB
SCHEMBL5532077 0.76 SLC6A9 (0.34) TRPM8THRBHDAC6
SCHEMBL3583632 0.76 RAF1 (0.37) KDM4AKDM5AKDM5BTRPM8RAF1

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 KDM4A 3290/4885KDM5A 3046/4885KDM5B 2025/4885

“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.