SCHEMBL4676830

SCHEMBL4676830

CC(C)c1cc(SC#N)cc(C(C)C)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.52
GABRB1 P18505 5/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
GABRB2 P47870 3/20 0.47
EGFR P00533 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
FAAH O00519 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
GABRG2 P18507 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2C P28335 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL8797567 0.80 ALDH1A1 (0.46) CA2LMNAHPGDALDH1A1
SCHEMBL8780157 0.79 PTGS2 (0.37) GABRA1GABRB1CA1CA2
SCHEMBL11590660 0.77 ALDH1A1 (0.44) LMNAHPGDALDH1A1
SCHEMBL10997298 0.76 CA1 (0.61) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL9701896 0.76 CA1 (0.61) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL9193916 0.75 PTGS2 (0.33) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL21241387 0.73 MAPT (0.42) CA1CA2EGFRCYP1A2CYP3A4
SCHEMBL22030026 0.72 GABRA1 (0.58) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL4674100 0.72 ALDH1A1 (0.50) CA1CA2EGFRCYP1A2CYP3A4
SCHEMBL4673232 0.70 ALDH1A1 (0.38) GABRA1CYP1A2CYP3A4LMNAHPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1482935-B1 THIAZOLE AND OXAZOLE DERIVATIVES WHICH MODULATE PPAR ACTIVITY WARNER LAMBERT CO (US) 2008-08-20 EP disclosed
EP-1482935-A1 THIAZOLE AND OXAZOLE DERIVATIVES WHICH MODULATE PPAR ACTIVITY Warner-Lambert Company LLC (US) 2004-12-08 EP disclosed
US-20030207924-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2003-11-06 US disclosed
WO-2003074050-A1 THIAZOLE AND OXAZOLE DERIVATIVES WHICH MODULATE PPAR ACTIVITY WARNER-LAMBERT COMPANY LLC (US) 2003-09-12 WO disclosed
US-6093744-A USE AS CEREBROVASCULAR AGENTS IN DISEASES SUCH AS STROKE, PERIPHERAL VASCULAR DISEASE, RESTENOSIS, AND AS AGENTS FOR REGULATING PLASMA CHOLESTEROL CONCENTRATIONS, FOR TREATING HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 2000-07-25 US disclosed
WO-1997044314-A1 N-ACYL SULFAMIC ACID ESTERS USEFUL AS HYPOCHOLESTEROLEMIC AGENTS WARNER-LAMBERT COMPANY (US) 1997-11-27 WO 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-20030207924-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG GABRA1 917/4885GABRB1 772/4885CA1 4722/4885

“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.