SCHEMBL4964423

SCHEMBL4964423

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.42
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 2/20 0.40
FFAR4 Q5NUL3 1/20 0.40
THRB P10828 1/20 0.40
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PSMB5 P28074 1/20 0.39
TRPM8 Q7Z2W7 2/20 0.38
KCNK3 O14649 1/20 0.38
KCNK5 O95279 1/20 0.38
KCNA5 P22460 1/20 0.38
KCNK17 Q96T54 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL4965190 0.92 HTR2A (0.43) HTR2ATP53MAPTGAATHRB
SCHEMBL4963522 0.87 PPARG (0.43) TP53MAPTUSP2HSD17B10TRPM8
SCHEMBL4965244 0.85 MAPT (0.46) TP53MAPTGAATRPM8HTT
SCHEMBL4964263 0.84 HSP90AA1 (0.44) MAPTHTT
SCHEMBL4962717 0.83 TRPM8 (0.53) TP53MAPTGAATHRBHSD17B10
SCHEMBL4764980 0.82 FFAR4 (0.43) HTR2AMAPTFFAR4KCNK3KCNK5
SCHEMBL4963743 0.79 TRPM8 (0.59) HSD17B10TRPM8
SCHEMBL4963240 0.79 PPARD (0.44) TP53MAPTUSP2HSD17B10
SCHEMBL4961998 0.78 KDM4E (0.43) HTR2AMAPTHTT
SCHEMBL4631046 0.77 PPARG (0.42) HTR2AMAPTFFAR4KCNK3KCNK5

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 HTR2A 4216/4885TP53 4383/4885MAPT 4671/4885

“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.