SCHEMBL4674675

SCHEMBL4674675

COC(=O)COc1c(C)cc(SC#N)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
LMNA P02545 4/20 0.50
HPGD P15428 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 6/20 0.45
GFER P55789 1/20 0.45
HTT P42858 1/20 0.44
POLB P06746 2/20 0.42
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
HSD17B10 Q99714 2/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL15517109 0.81 MMP1 (0.43) ALDH1A1LMNAHPGDMAPTHTT
SCHEMBL4673232 0.81 ALDH1A1 (0.38) ALDH1A1LMNAHPGDSMN1; SMN2NPC1
SCHEMBL5511863 0.81 ALDH1A1 (0.51) ALDH1A1LMNAHPGDSMN1; SMN2NPC1
SCHEMBL15516922 0.79 MMP1 (0.48) ALDH1A1LMNAHPGDSMN1; SMN2MAPT
SCHEMBL3681218 0.77 HSP90AB1 (0.47) ALDH1A1LMNASMN1; SMN2NPC1MAPT
SCHEMBL4679274 0.76 ALDH1A1 (0.42) ALDH1A1LMNAHPGDSMN1; SMN2NPC1
SCHEMBL4677835 0.76 MMP1 (0.46) ALDH1A1LMNAHPGDPOLBMMP1
SCHEMBL15516697 0.76 KMT2A (0.56) ALDH1A1LMNASMN1; SMN2POLBMMP1
SCHEMBL15517469 0.76 LMNA (0.53) ALDH1A1LMNAHPGDMAPTPOLB
SCHEMBL5510525 0.75 PTGS2 (0.50) ALDH1A1LMNAHPGDSMN1; SMN2MAPT

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
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-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 (5 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 ALDH1A1 1771/4885LMNA 1478/4885HPGD 691/4885
US-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG ALDH1A1 2456/4885LMNA 1929/4885HPGD 1279/4885
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG ALDH1A1 2456/4885LMNA 1929/4885HPGD 1279/4885
US-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION GPR119, PPARA, PPARG ALDH1A1 2456/4885LMNA 1929/4885HPGD 1279/4885
US-20030207924-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG ALDH1A1 886/4885LMNA 1479/4885HPGD 626/4885

“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.