SCHEMBL4630402

SCHEMBL4630402

CCN(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(SCc2ccccc2C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.49
PPARA Q07869 9/20 0.49
ALDH1A1 P00352 2/20 0.49
LTB4R2 Q9NPC1 2/20 0.44
CNR2 P34972 4/20 0.43
CNR1 P21554 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
Tert-Butylamine SCHEMBL5309426 0.95 PPARG (0.46) PPARGPPARAALDH1A1LTB4R2CNR2
Amantadine SCHEMBL5313114 0.89 CNR2 (0.43) PPARGPPARAALDH1A1LTB4R2CNR2
SCHEMBL4630851 0.87 PPARG (0.63) PPARGPPARAALDH1A1LTB4R2CNR2
Tert-Butylamine SCHEMBL5308906 0.84 PPARG (0.59) PPARGPPARAALDH1A1LTB4R2MEN1
Amantadine SCHEMBL5312457 0.78 PPARG (0.52) PPARGPPARAALDH1A1LTB4R2CNR2
SCHEMBL4630714 0.77 PPARG (0.53) PPARGPPARAALDH1A1
SCHEMBL5312651 0.75 PPARG (0.61) PPARGPPARAALDH1A1MEN1KMT2A
SCHEMBL11864635 0.75 PPARG (0.76) PPARGPPARAALDH1A1
SCHEMBL5448702 0.73 PPARG (0.48) PPARGPPARAALDH1A1LTB4R2MEN1
SCHEMBL5308910 0.73 PPARG (0.51) PPARGPPARAALDH1A1MEN1KMT2A

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 13 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 claimed
US-7355069-B2 Ortho-substituted benzoic acid derivatives for the treatment of insulin resistance ASTRAZENECA AB (SE) 2008-04-08 US claimed
EP-1517883-B1 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE ASTRAZENECA AB (SE) 2008-02-13 EP claimed
WO-2007051995-A2 TERT-BUTYLAMMONIUM SALT OR ADAMNTYLAMMONIUM SALT OF ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2007-05-10 WO claimed
US-20050256198-A1 Ortho-substituted benzoic acid derivatives for the treatmetn of insulin resistance ASTRAZENECA AB (SE) 2005-11-17 US claimed
EP-1517883-A1 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE AstraZeneca AB (SE) 2005-03-30 EP claimed
WO-2004000790-A1 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE ASTRAZENECA AB (SE) 2003-12-31 WO claimed
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.