SCHEMBL4963522

SCHEMBL4963522

CCCCN(Cc1ccc(C(F)(F)F)cc1F)C(=O)COc1ccc(CCOc2ccccc2C(=O)OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.43
PPARD Q03181 9/20 0.43
PPARA Q07869 9/20 0.43
USP2 O75604 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
RXRA P19793 3/20 0.40
NR1H2 P55055 3/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
NR1H3 Q13133 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
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
SCHEMBL4963240 0.92 PPARD (0.44) PPARGPPARDPPARAUSP2HSD17B10
SCHEMBL4964423 0.87 HTR2A (0.42) USP2HSD17B10TP53MAPTTRPM8
SCHEMBL4965244 0.81 MAPT (0.46) PPARDTP53MAPTTRPM8
SCHEMBL4964263 0.79 HSP90AA1 (0.44) MAPT
SCHEMBL4965190 0.79 HTR2A (0.43) USP2HSD17B10TP53MAPTTRPM8
SCHEMBL3996571 0.78 PSMB5 (0.43) PPARDPPARATP53MAPTTRPM8
SCHEMBL4962717 0.77 TRPM8 (0.53) HSD17B10TP53MAPTTRPM8
SCHEMBL3960463 0.77 PPARD (0.44) PPARGPPARDPPARAUSP2HSD17B10
SCHEMBL4963925 0.76 TRPM8 (0.49) HSD17B10TP53MAPTTRPM8
SCHEMBL3962831 0.76 PPARA (0.49) PPARGPPARDPPARAUSP2HSD17B10

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 3 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

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 PPARG 361/4885PPARD 438/4885PPARA 347/4885

“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.