SCHEMBL4677750

SCHEMBL4677750

Cc1cc(SC#N)c(C(C)C)cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.40
LMNA P02545 2/20 0.37
TRPA1 O75762 2/20 0.35
PTGS1 P23219 1/20 0.35
CACNA1C Q13936 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A2 P23975 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
CYP1A2 P05177 3/20 0.33
GABRA1 P14867 3/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
GABRB1 P18505 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 2/20 0.33
HSD17B10 Q99714 2/20 0.33
S1PR4 O95977 1/20 0.33
CYP2D6 P10635 2/20 0.32
MAPK1 P28482 2/20 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
SCHEMBL2034128 0.80 ALDH1A1 (0.43) LMNACYP1A2CYP3A4CYP2C19TDP1
SCHEMBL4678133 0.79 LMNA (0.49) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL4672913 0.75 ALDH1A1 (0.34) LMNACYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL4678827 0.75 HPGD (0.34) LMNACHRM1ADRA1AHTR2BCYP1A2
SCHEMBL4674502 0.75 USP2 (0.41) LMNACYP1A2CYP3A4CYP2C19GAA
SCHEMBL28235150 0.73 ACHE (0.42) ACHELMNATRPA1PTGS1CACNA1C
SCHEMBL6296382 0.73 USP2 (0.42) GAAALDH1A1MAPTUSP2USP8
SCHEMBL8011042 0.72 ALOX15 (0.43) LMNACYP1A2GABRA1CYP3A4CYP2C19
SCHEMBL4674203 0.72 ALDH1A1 (0.45) LMNACYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL4674061 0.72 EGFR (0.38) LMNATRPA1CYP1A2CYP3A4CYP2C19

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-B1 THIAZOLE AND OXAZOLE DERIVATIVES WHICH MODULATE PPAR ACTIVITY WARNER LAMBERT CO (US) 2008-08-20 EP disclosed
CN-1750820-A Thiazole and oxazole derivatives which modulate PPAR activity WARNER LAMBERT CO (US) 2006-03-22 CN 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

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 ACHE 2333/4885LMNA 1479/4885TRPA1 2142/4885

“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.