SCHEMBL4630557

SCHEMBL4630557

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.47
CNR2 P34972 2/20 0.43
KCNK3 O14649 1/20 0.42
KCNK5 O95279 1/20 0.42
KCNA5 P22460 1/20 0.42
KCNK17 Q96T54 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
PLG P00747 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
MAOB P27338 1/20 0.40
PPARA Q07869 3/20 0.40
PPARG P37231 2/20 0.40
SOAT1 P35610 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.39
ALOX5 P09917 2/20 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
SCHEMBL4631046 0.92 PPARG (0.42) HTR2AKCNK3KCNK5KCNA5KCNK17
SCHEMBL4629932 0.92 HTR2A (0.49) HTR2ACNR2MAOBPPARAPPARG
Tert-Butylamine SCHEMBL5316249 0.89 HTR2A (0.46) HTR2ACNR2MAOBPPARAPPARG
SCHEMBL4631128 0.87 CNR2 (0.42) HTR2ACNR2KCNK3KCNK5KCNA5
SCHEMBL4631074 0.86 CNR2 (0.59) CNR2PLGPRSS1PRSS2PRSS3
SCHEMBL4764980 0.86 FFAR4 (0.43) HTR2AKCNK3KCNK5KCNA5KCNK17
SCHEMBL4630408 0.83 LTB4R2 (0.48) HTR2APPARAPPARGLTB4R2
Amantadine SCHEMBL5314989 0.83 HTR2A (0.45) HTR2ACNR2PPARAPPARGLTB4R2
SCHEMBL4629905 0.82 LPAR1 (0.46) MAOBALOX5
SCHEMBL3996328 0.82 LTB4R2 (0.50) CNR2PLGPRSS1PRSS2PRSS3

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 HTR2A 3204/4885CNR2 854/4885KCNK3 2379/4885

“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.