SCHEMBL4456861

SCHEMBL4456861

CCCCCCc1cc2c(cc1OS(=O)(=O)C(F)(F)F)C(=O)CC2

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.36
DRD2 P14416 5/20 0.34
DRD3 P35462 4/20 0.34
HTR1D P28221 3/20 0.34
PTGS2 P35354 2/20 0.33
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32

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
SCHEMBL4808936 0.82 MAOB (0.39) MAOBDRD2DRD3HTR1DPTGS2
SCHEMBL4458486 0.80 HTR2A (0.48) PTGS2
SCHEMBL13956427 0.77 PPARA (0.45)
SCHEMBL13956652 0.77 PPARA (0.45)
SCHEMBL13956465 0.77 TSHR (0.56)
SCHEMBL2303778 0.75 MEN1 (0.41) PTGS2
SCHEMBL4809246 0.75 MEN1 (0.41) PTGS2
SCHEMBL13956434 0.75 LTB4R (0.47)
SCHEMBL4453277 0.75 LTB4R (0.47)
SCHEMBL1027802 0.74 MAOB (0.37) MAOBDRD2DRD3HTR1DPTGS2

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
EP-1583738-B1 INDENONCARBOXYLIC ACIDS DERIVATIVES AND THEIR USE FOR THE TREATMENT OF AND PREVENTING DIABETES AND DYSLIPIDAEMIA MERCK PATENT GMBH (DE) 2017-05-10 EP disclosed
US-7482484-B2 Carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia MERCK PATENT GMBH (DE) 2009-01-27 US disclosed
US-20060111445-A1 Novel carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia MERCK PATENT GMBH (DE) 2006-05-25 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-20060111445-A1 Novel carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia NR1H3, LDLR, NR1H2 MAOB 2327/4885DRD2 2910/4885DRD3 1944/4885

“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.