SCHEMBL4630699

SCHEMBL4630699

CCCCCCCN(Cc1ccc(F)cc1F)C(=O)Cc1ccc(SCc2ccccc2C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 6/20 0.46
CNR2 P34972 2/20 0.46
PPARG P37231 7/20 0.42
PPARA Q07869 7/20 0.42
PPARD Q03181 1/20 0.40
HTR2A P28223 1/20 0.39

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
SCHEMBL5308603 0.93 LTB4R2 (0.40) LTB4R2CNR2PPARGPPARAPPARD
SCHEMBL4631232 0.92 PPARG (0.45) LTB4R2CNR2PPARGPPARA
SCHEMBL4630483 0.92 LTB4R2 (0.47) LTB4R2PPARGPPARAPPARD
SCHEMBL4631128 0.91 CNR2 (0.42) LTB4R2CNR2PPARGPPARAPPARD
Amantadine SCHEMBL5309511 0.91 LTB4R2 (0.39) LTB4R2CNR2PPARGPPARAPPARD
Tert-Butylamine SCHEMBL5313974 0.89 PPARG (0.43) LTB4R2CNR2PPARGPPARAPPARD
SCHEMBL4629932 0.85 HTR2A (0.49) LTB4R2CNR2PPARGPPARAHTR2A
Amantadine SCHEMBL5311304 0.83 PPARG (0.39) LTB4R2CNR2PPARGPPARAHTR2A
Amantadine SCHEMBL5316705 0.83 LTB4R2 (0.40) LTB4R2PPARGPPARAPPARD
SCHEMBL4629875 0.83 PPARG (0.41) LTB4R2PPARGPPARAPPARD

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 LTB4R2 4236/4885CNR2 854/4885PPARG 670/4885

“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.