SCHEMBL4631046

SCHEMBL4631046

CCCCCCCN(Cc1ccc(F)cc1F)C(=O)CCc1ccc(OCc2ccccc2C(=O)OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
FFAR4 Q5NUL3 3/20 0.41
HTR2A P28223 2/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
FFAR1 O14842 2/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN7 P35236 1/20 0.41
ACHE P22303 2/20 0.40
PLG P00747 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAOB P27338 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNK5 O95279 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
SCHEMBL4764980 0.94 FFAR4 (0.43) PPARAFFAR4HTR2ALTB4R2FFAR1
SCHEMBL4630557 0.92 HTR2A (0.47) PPARGPPARAHTR2ALTB4R2PLG
SCHEMBL4630408 0.92 LTB4R2 (0.48) PPARGPPARAFFAR4HTR2ALTB4R2
Tert-Butylamine SCHEMBL5329291 0.89 LTB4R2 (0.45) PPARGPPARAFFAR4HTR2ALTB4R2
SCHEMBL4629875 0.87 PPARG (0.41) PPARGPPARALTB4R2ACHE
SCHEMBL4630671 0.86 LTB4R2 (0.55) FFAR4LTB4R2FFAR1PLGPRSS1
SCHEMBL4630741 0.86 LTB4R2 (0.46) PPARAFFAR4HTR2ALTB4R2FFAR1
SCHEMBL4630403 0.85 BCHE (0.51) ACHE
SCHEMBL4629932 0.83 HTR2A (0.49) PPARGPPARAHTR2ALTB4R2MAOB
Amantadine SCHEMBL5311991 0.83 LTB4R2 (0.41) PPARGPPARAFFAR4HTR2ALTB4R2

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 519/4885FFAR4 565/4885

“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.