SCHEMBL3586454

SCHEMBL3586454

O=S(=O)(Oc1ccc(OCc2nc3ccccc3s2)cc1C1(c2ccccc2)CC2CCC1C2)C(F)(F)F

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 20/20 0.71
ALOX5 P09917 1/20 0.49

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
SCHEMBL3578307 0.89 ALOX5AP (0.87) ALOX5APALOX5
SCHEMBL3577926 0.84 ALOX5AP (0.75) ALOX5APALOX5
SCHEMBL13349087 0.83 ALOX5AP (0.70) ALOX5APALOX5
SCHEMBL3572346 0.83 ALOX5AP (0.72) ALOX5APALOX5
SCHEMBL3593845 0.82 ALOX5AP (0.71) ALOX5APALOX5
SCHEMBL13314599 0.80 ALOX5AP (0.72) ALOX5AP
SCHEMBL3582486 0.78 ALOX5AP (1.00) ALOX5APALOX5
SCHEMBL3590294 0.72 ALOX5AP (0.93) ALOX5APALOX5
SCHEMBL3578341 0.70 ALOX5AP (1.00) ALOX5APALOX5
SCHEMBL4319036 0.68 ALOX5AP (0.65) ALOX5APALOX5

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
US-20100152185-A1 DIPHENYL SUBSTITUTED CYCLOALKANES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE CHU LIN 2010-06-17 US disclosed
US-20100152185-A1 DIPHENYL SUBSTITUTED CYCLOALKANES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE CHU LIN 2010-06-17 US disclosed
US-7629467-B2 5-lipoxygenase activating protein inhibitors; antiatherosclerotic, antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents MERCK & CO., INC. (US) 2009-12-08 US disclosed
US-7629467-B2 5-lipoxygenase activating protein inhibitors; antiatherosclerotic, antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents MERCK & CO., INC. (US) 2009-12-08 US disclosed
US-7629467-B2 5-lipoxygenase activating protein inhibitors; antiatherosclerotic, antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents MERCK & CO., INC. (US) 2009-12-08 US disclosed
US-20060211677-A1 Diphenyl substituted cycloalkanes, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. 2006-09-21 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 (2 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-20060211677-A1 Diphenyl substituted cycloalkanes, compositions containing such compounds and methods of use ALOX5, ALOX15B, ALOX15 ALOX5AP 10/4885ALOX5 1/4885
US-20100152185-A1 DIPHENYL SUBSTITUTED CYCLOALKANES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE ALOX5, LTC4S, ALOX15 ALOX5AP 16/4885ALOX5 1/4885

“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.