SCHEMBL4952071

SCHEMBL4952071

Cc1cc(S(=O)(=O)Cc2nn(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.53
PPARD Q03181 14/20 0.47
PPARA Q07869 6/20 0.47
PPARG P37231 4/20 0.47
PTPN1 P18031 1/20 0.43

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
SCHEMBL4957533 0.83 PTGDR2 (0.50) PTGDR2PPARDPPARAPPARGPTPN1
SCHEMBL4950019 0.82 PPARD (0.61) PPARDPPARA
SCHEMBL4953848 0.82 PPARD (0.60) PPARDPPARAPPARG
Mbx-8025 SCHEMBL4950228 0.81 PPARD (0.61) PPARDPPARAPPARG
SCHEMBL4952038 0.81 PPARD (0.48) PPARDPPARAPPARG
SCHEMBL4956335 0.81 PPARD (0.58) PPARDPPARAPPARG
SCHEMBL4956339 0.81 PPARD (0.46) PPARDPPARAPPARG
SCHEMBL4952004 0.80 PPARD (0.57) PPARDPPARAPPARG
SCHEMBL14188775 0.79 PPARD (0.55) PPARDPPARAPPARG
SCHEMBL5904858 0.77 PTGDR2 (0.49) PTGDR2PPARDPPARAPPARG

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080108630-A1 SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX INC. (US) 2008-05-08 US disclosed
US-20080108630-A1 SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX INC. (US) 2008-05-08 US disclosed
US-20080108630-A1 SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX INC. (US) 2008-05-08 US disclosed
US-7323480-B2 Substituted triazoles as modulators of PPAR and methods of their preparation METABOLEX, INC. (US) 2008-01-29 US disclosed
US-7323480-B2 Substituted triazoles as modulators of PPAR and methods of their preparation METABOLEX, INC. (US) 2008-01-29 US disclosed
US-7323480-B2 Substituted triazoles as modulators of PPAR and methods of their preparation METABOLEX, INC. (US) 2008-01-29 US disclosed
EP-1751120-A2 SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2007-02-14 EP disclosed
US-20060014809-A1 Substituted triazoles as modulators of PPAR and methods of their preparation METABOLEX, INC. (US) 2006-01-19 US disclosed
WO-2005115383-A2 SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2005-12-08 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 (2 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-20060014809-A1 Substituted triazoles as modulators of PPAR and methods of their preparation PPARG, PPARD, GPR119 PTGDR2 908/4885PPARD 2/4885PPARA 4/4885
US-20080108630-A1 SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION PPARG, PPARD, GPR119 PTGDR2 908/4885PPARD 2/4885PPARA 4/4885

“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.