SCHEMBL4674073

SCHEMBL4674073

COC(=O)COc1cc(C)c(SC#N)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 3/20 0.38
TP53 P04637 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
HMGCR P04035 1/20 0.38
AR P10275 1/20 0.38
TSHR P16473 3/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 2/20 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
SCHEMBL4678609 0.90 HMGCR (0.47) LMNAGAATDP1ALDH1A1HPGD
SCHEMBL4676960 0.89 LMNA (0.43) LMNAKDM4EPOLBGAATDP1
SCHEMBL4673430 0.87 LMNA (0.56) LMNAKDM4EGAATDP1HTT
SCHEMBL4680278 0.87 LMNA (0.42) LMNAKDM4EPOLBGAATDP1
SCHEMBL4680002 0.87 HMGCR (0.44) LMNAKDM4EPOLBGAATDP1
SCHEMBL4677857 0.87 LMNA (0.42) LMNAKDM4EPOLBGAATDP1
SCHEMBL4676860 0.87 LMNA (0.46) LMNAKDM4EGAATDP1ALDH1A1
SCHEMBL4674262 0.86 LMNA (0.41) LMNAKDM4EPOLBGAATDP1
SCHEMBL7998684 0.85 LMNA (0.40) LMNAKDM4EPOLBGAATDP1
SCHEMBL4673737 0.85 LMNA (0.40) LMNAKDM4EPOLBGAATDP1

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 LMNA 1478/4885KDM4E 2473/4885POLB 2780/4885
US-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG LMNA 1929/4885KDM4E 2934/4885POLB 4181/4885
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG LMNA 1929/4885KDM4E 2934/4885POLB 4181/4885
US-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION GPR119, PPARA, PPARG LMNA 1929/4885KDM4E 2934/4885POLB 4181/4885
US-20030207924-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG LMNA 1479/4885KDM4E 2048/4885POLB 3400/4885

“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.