SCHEMBL4674061

SCHEMBL4674061

COc1cc(O)c(C)cc1SC#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.38
TUBB1 Q9H4B7 3/20 0.38
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38
TUBB3 Q13509 2/20 0.38
TUBB2A Q13885 2/20 0.38
TUBB8 Q3ZCM7 2/20 0.38
TUBA3E Q6PEY2 2/20 0.38
TUBA1A Q71U36 2/20 0.38
TUBA1C Q9BQE3 2/20 0.38
TUBB6 Q9BUF5 2/20 0.38
TUBB2B Q9BVA1 2/20 0.38
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 2/20 0.35

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
SCHEMBL11099555 0.86 EGFR (0.40) EGFRTUBB1TUBB4ATUBBTUBA3C
SCHEMBL2034128 0.80 ALDH1A1 (0.43) EGFRALDH1A1MAPTKDM4ECYP1A2
SCHEMBL4677824 0.79 EGFR (0.38) EGFRTUBB1ALDH1A1MAPTKDM4E
SCHEMBL4678431 0.76 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL4674502 0.75 USP2 (0.41) ALDH1A1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL4678827 0.75 HPGD (0.34) ALDH1A1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL4672913 0.75 ALDH1A1 (0.34) EGFRALDH1A1MAPTKDM4ECYP1A2
SCHEMBL4676960 0.74 LMNA (0.43) ALDH1A1MAPTKDM4ECYP1A2HPGD
SCHEMBL5512502 0.74 MAOB (0.50) EGFRTUBB1TUBB4ATUBBTUBA3C
SCHEMBL11369230 0.73 USP2 (0.42) ALDH1A1MAPTKDM4ECYP3A4HPGD

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 17 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
US-RE39916-E1 Compounds that modulate PPAR activity and methods for their preparation WARNER LAMBERT COMPANY (US) 2007-11-06 US disclosed
US-7244763-B2 Compounds that modulate PPAR activity and methods of preparation WARNER LAMBERT COMPANY LLC (US) 2007-07-17 US disclosed
CN-1750820-A Thiazole and oxazole derivatives which modulate PPAR activity WARNER LAMBERT CO (US) 2006-03-22 CN disclosed
EP-1620086-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS OF PREPARATION Warner-Lambert Company LLC (US) 2006-02-01 EP disclosed
US-6964983-B2 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY, LLC (US) 2005-11-15 US disclosed
US-6939875-B2 Carbocyclic oxy sulfides such as [4-(Biphenyl-4-ylmethylsulfanyl)-5-methoxy-2-methyl-phenoxy]-acetic acid, used to control peroxisome proliferator activated receptors (PPAR), for prophylaxis of metabolic disorders WARNER-LAMBERT COMPANY (US) 2005-09-06 US disclosed
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation AUERBACH BRUCE J (US) 2005-05-26 US disclosed
US-6875780-B2 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed
EP-1494989-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2005-01-12 EP disclosed
EP-1482935-A1 THIAZOLE AND OXAZOLE DERIVATIVES WHICH MODULATE PPAR ACTIVITY Warner-Lambert Company LLC (US) 2004-12-08 EP disclosed
WO-2004091604-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS OF PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2004-10-28 WO disclosed
US-20040209936-A1 Compounds that modulate PPAR activity and methods of preparation BRATTON LARRY D (US) 2004-10-21 US disclosed
US-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY 2003-12-04 US disclosed
US-20030207924-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2003-11-06 US disclosed
WO-2003084916-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2003-10-16 WO 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 (4 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-20040209936-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARG, PPARD EGFR 1547/4885TUBB1 4104/4885TUBB4A 4240/4885
US-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG EGFR 1131/4885TUBB1 4778/4885TUBB4A 4739/4885
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG EGFR 1131/4885TUBB1 4778/4885TUBB4A 4739/4885
US-20030207924-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG EGFR 1657/4885TUBB1 3797/4885TUBB4A 4016/4885

“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.