SCHEMBL4679692

SCHEMBL4679692

CC(C)(CC#N)c1ccc(S)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.32
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
KIF11 P52732 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30
CASP1 P29466 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL9447336 0.81 TSHR (0.46) SHBGESR1ESR2KIF11TAAR1
SCHEMBL2815949 0.79 MAPT (0.47) SHBGESR1ESR2KIF11TAAR1
SCHEMBL3045851 0.79 CYP2A6 (0.33) SHBGESR1ESR2KIF11TAAR1
SCHEMBL4673742 0.78 TAAR1 (0.52) ESR1ESR2TAAR1
SCHEMBL7583086 0.76 ALDH1A1 (0.43) KIF11CASP1HSD17B10
SCHEMBL2254504 0.73 NPC1 (0.48) SHBG
SCHEMBL11724568 0.72 ESR1 (0.36) ESR1ESR2TAAR1CASP1HSD17B10
SCHEMBL4673958 0.72 ALDH1A1 (0.38) SHBGHSD17B10
SCHEMBL2815187 0.72 HSD17B10 (0.42) HSD17B10
SCHEMBL9081437 0.71 SHBG (0.61) SHBGESR1ESR2TAAR1CASP1

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 5 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
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 SHBG 273/4885ESR1 1171/4885ESR2 414/4885

“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.