SCHEMBL1027802

SCHEMBL1027802

Cc1cc2c(cc1OS(=O)(=O)C(F)(F)F)CCC2=O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.37
PTGS2 P35354 8/20 0.36
DRD2 P14416 4/20 0.34
PTGS1 P23219 1/20 0.33
HTR1D P28221 2/20 0.33
DRD3 P35462 2/20 0.33

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
SCHEMBL24362288 0.92 MAOA (0.38) MAOBPTGS2DRD2DRD3
SCHEMBL29600396 0.92 MAOA (0.38) MAOBPTGS2DRD2DRD3
SCHEMBL4809246 0.84 MEN1 (0.41) PTGS2
SCHEMBL2303778 0.84 MEN1 (0.41) PTGS2
SCHEMBL4808936 0.83 MAOB (0.39) MAOBPTGS2DRD2HTR1DDRD3
SCHEMBL12533716 0.79 STS (0.36) DRD2HTR1DDRD3
SCHEMBL4517278 0.78 RXRA (0.34)
SCHEMBL29600467 0.76 MAOA (0.38) MAOBPTGS2DRD2
SCHEMBL24362492 0.76 MAOA (0.38) MAOBPTGS2DRD2
SCHEMBL7501392 0.76 MEN1 (0.39) MAOBPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581509-B1 1-(AMINO)INDANES AS EDG RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2011-01-19 EP disclosed
EP-1581509-A4 1-(AMINO)INDANES AND (1,2-DIHYDRO-3-AMINO)-BENZOFURANS, BENZOTHIOPHENES AND INDOLES AS EDG RECEPTOR AGONISTS MERCK & CO INC (US) 2008-04-23 EP disclosed
US-7220734-B2 1-(amino)indanes and (1,2-dihydro-3-amino)-benzofurans, benzothiophenes and indoles as Edg receptor agonists MERCK & CO., INC. (US) 2007-05-22 US disclosed
US-20060161005-A1 1-(Amino)indanes and (1,2-dihydro-3-amino)-benzofurans, benzothiophenes and indoles as edg receptor agonists MERCK SHARP & DOHME CORP. 2006-07-20 US disclosed
EP-1581509-A2 1-(AMINO)INDANES AND (1,2-DIHYDRO-3-AMINO)-BENZOFURANS, BENZOTHIOPHENES AND INDOLES AS EDG RECEPTOR AGONISTS Merck & Co., Inc. (US) 2005-10-05 EP disclosed
WO-2004058149-A2 1-(AMINO)INDANES AND (1,2-DIHYDRO-3-AMINO)-BENZOFURANS, BENZOTHIOPHENES AND INDOLES MERCK & CO., INC. (US) 2004-07-15 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-20060161005-A1 1-(Amino)indanes and (1,2-dihydro-3-amino)-benzofurans, benzothiophenes and indoles as edg receptor agonists IDO1, IDO2, EDNRA MAOB 1511/4885PTGS2 619/4885DRD2 1409/4885

“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.