SCHEMBL5511641

SCHEMBL5511641

COC(=O)COc1ccc(S)c2c1CCCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
TSHR P16473 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 1/20 0.45
PTGDR Q13258 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
RXRA P19793 3/20 0.40
RXRB P28702 3/20 0.40
RXRG P48443 3/20 0.40
PLA2G2A P14555 1/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL2068684 0.97 PTGDR (0.43) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL2876703 0.86 ALDH1A1 (0.51) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL9979562 0.83 ALDH1A1 (0.54) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL5512365 0.81 ALDH1A1 (0.41) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL5512179 0.77 PPARD (0.47) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL8546134 0.77 RXRA (0.54) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL14364374 0.76 PPARD (0.41) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL5639076 0.74 PPARD (0.47) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL5508804 0.73 RXRA (0.54) KDM4ELMNARXRARXRBRXRG
SCHEMBL5506684 0.73 PPARD (0.64) PPARGPPARDPPARARXRARXRB

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39916-E1 Compounds that modulate PPAR activity and methods for their preparation WARNER LAMBERT COMPANY (US) 2007-11-06 US disclosed
US-RE39916-E1 Compounds that modulate PPAR activity and methods for their preparation WARNER LAMBERT COMPANY (US) 2007-11-06 US 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
US-7244763-B2 Compounds that modulate PPAR activity and methods of preparation WARNER LAMBERT COMPANY LLC (US) 2007-07-17 US disclosed
US-7244763-B2 Compounds that modulate PPAR activity and methods of preparation WARNER LAMBERT COMPANY LLC (US) 2007-07-17 US 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-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION AUERBACH BRUCE J (US) 2005-07-14 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
US-6833380-B2 Thiazole or oxazole derivatives such as (4-(4-Methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethylsulfanyl)-5-oxo -5,6,7,8-tetrahydro-naphthalen-1-yloxy)-acetic acid WARNER-LAMBERT COMPANY, LLC 2004-12-21 US disclosed
EP-1485091-A1 THIAZOLE AND OXAZOLE DERIVATIVES THAT MODULATE PPAR ACTIVITY Warner-Lambert Company LLC (US) 2004-12-15 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-20030207916-A1 Thiazole or oxazole derivatives such as (4-(4-Methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethylsulfanyl)-5-oxo -5,6,7,8-tetrahydro-naphthalen-1-yloxy)-acetic acid 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-2003074052-A1 THIAZOLE AND OXAZOLE DERIVATIVES THAT 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-20030207916-A1 Thiazole or oxazole derivatives such as (4-(4-Methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethylsulfanyl)-5-oxo -5,6,7,8-tetrahydro-naphthalen-1-yloxy)-acetic acid PPARA, PPARD, PPARG ALDH1A1 175/4885TSHR 1016/4885KDM4E 1637/4885
US-20040209936-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARG, PPARD ALDH1A1 1771/4885TSHR 613/4885KDM4E 2473/4885
US-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG ALDH1A1 2456/4885TSHR 237/4885KDM4E 2934/4885
US-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION GPR119, PPARA, PPARG ALDH1A1 2456/4885TSHR 237/4885KDM4E 2934/4885

“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.