SCHEMBL4630671

SCHEMBL4630671

CCCCCCN(Cc1ccccc1)C(=O)CCc1ccc(OCc2ccccc2C(=O)OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 2/20 0.55
CA12 O43570 5/20 0.47
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA4 P22748 2/20 0.47
CNR2 P34972 1/20 0.47
BCHE P06276 1/20 0.47
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PLG P00747 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
LPAR1 Q92633 2/20 0.44
LPAR3 Q9UBY5 1/20 0.44
ALOX5 P09917 1/20 0.44

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
SCHEMBL4629865 0.92 LTB4R2 (0.63) LTB4R2CA12CA1CA2CA4
SCHEMBL4631074 0.91 CNR2 (0.59) LTB4R2CNR2BCHEPLGPRSS1
SCHEMBL4630403 0.87 BCHE (0.51) BCHELPAR1
SCHEMBL4631046 0.86 PPARG (0.42) LTB4R2POLBMAPTSMN1; SMN2PLG
SCHEMBL3996328 0.86 LTB4R2 (0.50) LTB4R2CA12CA1CA2CA4
SCHEMBL13869719 0.83 KMT2A (0.57) LTB4R2SMN1; SMN2FFAR1FFAR4
SCHEMBL4004959 0.83 CNR2 (0.52) LTB4R2CNR2BCHE
SCHEMBL4630497 0.83 BCHE (0.47) LTB4R2BCHELPAR1
SCHEMBL4662444 0.83 LTB4R2 (0.42) LTB4R2POLBMAPTSMN1; SMN2PLG
Amantadine SCHEMBL5310812 0.82 LTB4R2 (0.51) LTB4R2CA12CA1CA2CA4

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 LTB4R2 4236/4885CA12 3994/4885CA1 3335/4885

“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.