SCHEMBL4629897

SCHEMBL4629897

CCN(Cc1ccccc1F)C(=O)Cc1ccc(OCc2ccccc2C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.53
LPAR5 Q9H1C0 4/20 0.53
ALOX5 P09917 3/20 0.48
MAOB P27338 3/20 0.46
TSPO P30536 2/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
PARP15 Q460N3 1/20 0.43
PARP14 Q460N5 1/20 0.43
PARP10 Q53GL7 1/20 0.43
SCN9A Q15858 1/20 0.43
SCN3A Q9NY46 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
Tert-Butylamine SCHEMBL5309305 0.96 LPAR1 (0.49) LPAR1LPAR5ALOX5MAOBTSPO
SCHEMBL4630536 0.90 LPAR1 (0.51) LPAR1LPAR5MAOBTSPO
SCHEMBL4629905 0.90 LPAR1 (0.46) LPAR1LPAR5ALOX5MAOBTSPO
SCHEMBL3997798 0.89 TRPM8 (0.52) LPAR1LPAR5MAOBTSPOTRPM8
Amantadine SCHEMBL5313198 0.89 LPAR1 (0.43) LPAR1LPAR5ALOX5MAOBTSPO
SCHEMBL3997797 0.85 NPC1 (0.46) LPAR1LPAR5ALOX5TSPOTRPM8
SCHEMBL4965162 0.84 LPAR1 (0.48) LPAR1LPAR5ALOX5MAOBPARP15
SCHEMBL4629932 0.81 HTR2A (0.49) LPAR1LPAR5ALOX5MAOB
SCHEMBL4630654 0.81 TSPO (0.55) TSPO
SCHEMBL4630463 0.80 LPAR1 (0.45) LPAR1LPAR5MAOBTSPOPARP15

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 12 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
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 LPAR1 2995/4885LPAR5 3941/4885ALOX5 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.