SCHEMBL3094559

SCHEMBL3094559

CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(-c3ccc(F)cn3)cc2)c2ncc(OCc3ccccn3)cc12

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 20/20 0.73
CYP2C9 P11712 7/20 0.69
CYP3A4 P08684 6/20 0.69
PTGS1 P23219 1/20 0.64
CYP2D6 P10635 2/20 0.63
ALOX5 P09917 1/20 0.63

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
SCHEMBL3096404 0.92 ALOX5AP (0.72) ALOX5APCYP2C9CYP3A4PTGS1CYP2D6
SCHEMBL169691 0.91 ALOX5AP (0.86) ALOX5APCYP2C9CYP3A4PTGS1CYP2D6
SCHEMBL3082175 0.91 ALOX5AP (0.83) ALOX5APCYP2C9CYP3A4PTGS1ALOX5
SCHEMBL3102948 0.89 ALOX5AP (0.66) ALOX5APCYP2C9CYP3A4PTGS1CYP2D6
SCHEMBL3099749 0.88 ALOX5AP (0.59) ALOX5APCYP2C9CYP3A4PTGS1CYP2D6
SCHEMBL3099852 0.88 ALOX5AP (0.80) ALOX5APCYP2C9CYP3A4CYP2D6ALOX5
SCHEMBL3103068 0.87 ALOX5AP (0.69) ALOX5APCYP2C9CYP3A4PTGS1CYP2D6
SCHEMBL3088465 0.86 ALOX5AP (0.70) ALOX5APCYP2C9CYP3A4PTGS1CYP2D6
SCHEMBL3088762 0.85 ALOX5AP (0.83) ALOX5APCYP2C9CYP3A4PTGS1CYP2D6
SCHEMBL3091548 0.85 ALOX5AP (0.67) ALOX5APCYP2C9CYP3A4PTGS1CYP2D6

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
EP-1933842-B1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS PANMIRA PHARMACEUTICALS LLC (US) 2012-10-03 EP disclosed
US-7795274-B2 5-lipoxygenase-activating protein (FLAP) inhibitors AMIRA PHARMACEUTICALS INC. (US) 2010-09-14 US disclosed
US-20080227807-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2008-09-18 US disclosed
US-7405302-B2 5-lipoxygenase-activating protein (FLAP) inhibitors AMIRA PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
US-20070123522-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-05-31 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-20080227807-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 ALOX5AP 4/4885CYP2C9 2125/4885CYP3A4 912/4885
US-20070123522-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 ALOX5AP 4/4885CYP2C9 2125/4885CYP3A4 912/4885

“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.