SCHEMBL4964280

SCHEMBL4964280

CCCCCCCN(Cc1ccc(F)cc1F)C(=O)COc1ccc(CCOS(C)(=O)=O)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTR2A P28223 1/20 0.39
SOAT1 P35610 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
LPAR1 Q92633 1/20 0.37
LPAR5 Q9H1C0 1/20 0.37

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
SCHEMBL4961989 0.88 ALDH1A1 (0.50) KDM4EALDH1A1HTR2ASOAT1PPARG
SCHEMBL4961660 0.85 PPARG (0.45) KDM4EALDH1A1PPARGPPARALPAR1
SCHEMBL4964263 0.85 HSP90AA1 (0.44) KDM4EALDH1A1
SCHEMBL4961998 0.84 KDM4E (0.43) KDM4EALDH1A1HTR2A
SCHEMBL4964264 0.82 KDM4E (0.41) KDM4EALDH1A1HTR2APPARGPPARA
SCHEMBL4964260 0.80 KDM4E (0.39) KDM4EALDH1A1HTR2ASOAT1PPARG
SCHEMBL4630764 0.70 SOAT1 (0.46) KDM4EALDH1A1HTR2ASOAT1PPARG
SCHEMBL4965873 0.70 SOAT1 (0.46) KDM4EALDH1A1HTR2ASOAT1PPARG
SCHEMBL3963243 0.70 NPC1 (0.47) ALDH1A1HTR2ASOAT1
SCHEMBL3963129 0.70 NPC1 (0.47) ALDH1A1HTR2ASOAT1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351858-B2 Ortho-substituted benzoic acid derivatives for the treatment of insulin resistance ASTRAZENECA AB (SE) 2008-04-01 US disclosed
EP-1517679-B1 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE ASTRAZENECA AB (SE) 2008-02-13 EP disclosed
US-20050222261-A1 Ortho-substituted benzoic acid derivatives for the treatment of insulin resistance ASTRAZENECA AB, R&D HEADQUARTERS, GLOBAL INTELLECTUAL PROPERTY PATENTS (SE) 2005-10-06 US disclosed
EP-1517679-A1 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE AstraZeneca AB (SE) 2005-03-30 EP disclosed
WO-2004000294-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-20050222261-A1 Ortho-substituted benzoic acid derivatives for the treatment of insulin resistance INSR, GPR119, IRS1 KDM4E 2917/4885ALDH1A1 1463/4885HTR2A 4216/4885

“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.