SCHEMBL4630714

SCHEMBL4630714

CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1ccc(SCc2ccccc2C(=O)OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.53
PPARA Q07869 10/20 0.53
ALDH1A1 P00352 2/20 0.38
PTGDR2 Q9Y5Y4 4/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
TBXA2R P21731 2/20 0.37
PTGDR Q13258 2/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4630851 0.90 PPARG (0.63) PPARGPPARAALDH1A1PTGDR2
SCHEMBL5308910 0.88 PPARG (0.51) PPARGPPARAALDH1A1PTGDR2TRPM8
Tert-Butylamine SCHEMBL5308906 0.86 PPARG (0.59) PPARGPPARAALDH1A1PTGDR2
Amantadine SCHEMBL5312457 0.80 PPARG (0.52) PPARGPPARAALDH1A1PTGDR2
SCHEMBL4630402 0.77 PPARG (0.49) PPARGPPARAALDH1A1
SCHEMBL4630498 0.75 PPARG (0.55) PPARGPPARAALDH1A1PTGDR2L3MBTL1
Tert-Butylamine SCHEMBL5309426 0.75 PPARG (0.46) PPARGPPARAALDH1A1
SCHEMBL5447232 0.73 PPARG (0.45) PPARGPPARAALDH1A1PTGDR2L3MBTL1
SCHEMBL4631128 0.73 CNR2 (0.42) PPARGPPARA
SCHEMBL5438157 0.73 PPARG (0.49) PPARGPPARAALDH1A1PTGDR2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517883-B8 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE ASTRAZENECA AB (SE) 2008-05-21 EP disclosed
US-7355069-B2 Ortho-substituted benzoic acid derivatives for the treatment of insulin resistance ASTRAZENECA AB (SE) 2008-04-08 US disclosed
EP-1517883-B1 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE ASTRAZENECA AB (SE) 2008-02-13 EP disclosed
US-20050256198-A1 Ortho-substituted benzoic acid derivatives for the treatmetn of insulin resistance ASTRAZENECA AB (SE) 2005-11-17 US disclosed
EP-1517883-A1 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE AstraZeneca AB (SE) 2005-03-30 EP disclosed
WO-2004000790-A1 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE ASTRAZENECA AB (SE) 2003-12-31 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 (1 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-20050256198-A1 Ortho-substituted benzoic acid derivatives for the treatmetn of insulin resistance GPR119, INSR, IRS1 PPARG 670/4885PPARA 519/4885ALDH1A1 1160/4885

“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.