SCHEMBL4631074

SCHEMBL4631074

CCCCCCN(Cc1ccccc1)C(=O)Cc1ccc(OCc2ccccc2C(=O)OC)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.59
LTB4R2 Q9NPC1 3/20 0.53
ALOX5 P09917 5/20 0.48
REN P00797 2/20 0.47
PLG P00747 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
LTB4R Q15722 1/20 0.43
BCHE P06276 1/20 0.43
LPAR1 Q92633 1/20 0.43
LPAR5 Q9H1C0 1/20 0.43

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
SCHEMBL3996328 0.91 LTB4R2 (0.50) CNR2LTB4R2ALOX5PLGPRSS1
SCHEMBL4630064 0.91 CNR2 (0.62) CNR2LTB4R2ALOX5RENLPAR1
SCHEMBL4630671 0.91 LTB4R2 (0.55) CNR2LTB4R2ALOX5PLGPRSS1
SCHEMBL4004959 0.91 CNR2 (0.52) CNR2LTB4R2RENLTB4RBCHE
Tert-Butylamine SCHEMBL5312728 0.87 CNR2 (0.57) CNR2LTB4R2ALOX5RENLPAR1
SCHEMBL3997183 0.86 CNR2 (0.52) CNR2LTB4R2BCHELPAR1LPAR5
SCHEMBL4630557 0.86 HTR2A (0.47) CNR2LTB4R2ALOX5PLGPRSS1
SCHEMBL3995052 0.86 CNR2 (0.51) CNR2LTB4R2RENHDAC1HDAC6
SCHEMBL3994210 0.85 CNR2 (0.47) CNR2LTB4R2ALOX5PLGPRSS1
SCHEMBL4001522 0.85 CYP1A2 (0.48) CNR2ALOX5PLGPRSS1PRSS2

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 CNR2 854/4885LTB4R2 4236/4885ALOX5 2277/4885

“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.