SCHEMBL4674203

SCHEMBL4674203

CCc1cc(O)c(C)cc1SC#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
MAPT P10636 6/20 0.45
HTT P42858 1/20 0.45
HPGD P15428 4/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.39
GFER P55789 1/20 0.36
NPC1 O15118 1/20 0.35
ALOX15 P16050 2/20 0.34
ALOX12 P18054 2/20 0.34
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33
AR P10275 3/20 0.33
KDM4E B2RXH2 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
G6PD P11413 1/20 0.32
CYP2C9 P11712 1/20 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
SCHEMBL4678431 0.82 ALDH1A1 (0.41) ALDH1A1MAPTHTTHPGDLMNA
SCHEMBL2034128 0.80 ALDH1A1 (0.43) ALDH1A1MAPTHTTHPGDLMNA
SCHEMBL4674502 0.75 USP2 (0.41) ALDH1A1MAPTHTTHPGDLMNA
SCHEMBL4672913 0.75 ALDH1A1 (0.34) ALDH1A1MAPTHTTHPGDLMNA
SCHEMBL4678827 0.75 HPGD (0.34) ALDH1A1MAPTHTTHPGDLMNA
SCHEMBL4680002 0.73 HMGCR (0.44) ALDH1A1MAPTHTTHPGDLMNA
SCHEMBL16054244 0.73 SNCA (0.42) ALDH1A1MAPTHTTHPGDALOX15
SCHEMBL6151944 0.72 ALOX15 (0.52) ALDH1A1MAPTHTTHPGDPOLB
SCHEMBL4677750 0.72 ACHE (0.40) ALDH1A1MAPTHPGDLMNAALOX15
SCHEMBL8011042 0.72 ALOX15 (0.43) ALDH1A1MAPTHTTHPGDLMNA

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 ALDH1A1 886/4885MAPT 4783/4885HTT 1293/4885

“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.