SCHEMBL3811706

SCHEMBL3811706

COc1cc(OCC(=O)O)c(C)cc1SCc1ccccc1OCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 18/20 0.77
PPARA Q07869 10/20 0.77
PPARG P37231 5/20 0.77
PTPN1 P18031 1/20 0.47
FFAR1 O14842 1/20 0.46
FFAR2 O15552 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46

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
SCHEMBL5512756 0.92 PPARD (0.65) PPARDPPARAPPARGFFAR1FFAR2
SCHEMBL6493346 0.88 PPARD (0.60) PPARDPPARAPPARGPTPN1FFAR1
SCHEMBL1602178 0.87 PPARD (1.00) PPARDPPARAPPARG
SCHEMBL4110321 0.85 PPARD (0.82) PPARDPPARAPPARG
SCHEMBL5728665 0.85 PPARD (0.55) PPARDPPARAPPARGPTPN1FFAR1
SCHEMBL5728669 0.85 PPARD (0.55) PPARDPPARAPPARGPTPN1FFAR1
SCHEMBL4111994 0.82 PPARD (0.67) PPARDPPARAPPARG
SCHEMBL3819076 0.81 PPARD (0.70) PPARDPPARAPPARG
SCHEMBL1548952 0.80 PPARD (0.71) PPARDPPARAPPARG
SCHEMBL5511665 0.79 PPARD (0.68) PPARDPPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6875780-B2 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY (US) 2005-04-05 US claimed
EP-1819681-B1 7-(2H-PYRAZOL-3-YL)-3,5-DIHYDROXY-HEPTANOIC ACID DERIVATIVES AS HMG CO-A REDUCTASE INHIBITORS FOR THE TREATMENT OF LIPIDEMIA WARNER LAMBERT CO (US) 2009-08-12 EP disclosed
US-20090170852-A1 NOVEL PYRAZOLE-BASED HMG CoA REDUCTASE INHIBITORS PFIZER INC. 2009-07-02 US disclosed
US-7446121-B2 Pyrazole-based HMG CoA reductase inhibitors PFIZER INC. (US) 2008-11-04 US disclosed
US-20080227974-A1 Novel Substituted Azetidinones PFIZER INC. 2008-09-18 US disclosed
EP-1912937-A1 NOVEL SUBSTITUTED AZETIDINONES Warner-Lambert Company LLC (US) 2008-04-23 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-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
EP-1819681-A1 7-(2H-PYRAZOL-3-YL)-3,5-DIHYDROXY-HEPTANOIC ACID DERIVATIVES AS HMG CO-A REDUCTASE INHIBITORS FOR THE TREATMENT OF LIPIDEMIA Warner-Lambert Company LLC (US) 2007-08-22 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
WO-2005105079-A2 NOVEL IMIDAZOLES WARNER-LAMBERT COMPANY LLC (US) 2005-11-10 WO disclosed
US-20050239857-A1 Novel imidazoles BOLTON GARY L 2005-10-27 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-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors WARNER-LAMBERT COMPANY 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
EP-1494989-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2005-01-12 EP disclosed
US-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY 2003-12-04 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20090170852-A1 NOVEL PYRAZOLE-BASED HMG CoA REDUCTASE INHIBITORS HMGCR, BPHL, CYP46A1 PPARD 182/4885PPARA 123/4885PPARG 141/4885
US-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG PPARD 4/4885PPARA 2/4885PPARG 3/4885
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG PPARD 4/4885PPARA 2/4885PPARG 3/4885
US-20080227974-A1 Novel Substituted Azetidinones APOB, PCSK9, CYP46A1 PPARD 278/4885PPARA 695/4885PPARG 662/4885
US-20050239857-A1 Novel imidazoles HMGCR, HMGB2, HMGB3 PPARD 1124/4885PPARA 967/4885PPARG 739/4885
US-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION GPR119, PPARA, PPARG PPARD 4/4885PPARA 2/4885PPARG 3/4885
US-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors HMGCR, DHCR7, CYP11A1 PPARD 765/4885PPARA 306/4885PPARG 540/4885

“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.