SCHEMBL1192986

SCHEMBL1192986

CC(C)(C)Sc1c(CC(C)(C)C(=O)NC=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 19/20 0.82
ALOX5 P09917 7/20 0.82
CYP3A4 P08684 2/20 0.82
CYP2C9 P11712 2/20 0.82
CYP2D6 P10635 1/20 0.82
PTGS1 P23219 1/20 0.63
PTGS2 P35354 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
SCHEMBL9185735 0.90 ALOX5AP (0.86) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
Quiflapon SCHEMBL29370879 0.90 ALOX5AP (1.00) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
Quiflapon SCHEMBL30505315 0.90 ALOX5AP (1.00) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
Quiflapon SCHEMBL29372303 0.90 ALOX5AP (1.00) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
Quiflapon SCHEMBL502947 0.90 ALOX5AP (1.00) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
Quiflapon SCHEMBL9306864 0.89 ALOX5AP (0.98) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
Quiflapon SCHEMBL9306842 0.89 ALOX5AP (0.98) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
Quiflapon SCHEMBL1229503 0.89 ALOX5AP (1.00) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
SCHEMBL9186846 0.88 ALOX5AP (0.80) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
SCHEMBL9150053 0.88 ALOX5AP (0.84) ALOX5APALOX5CYP3A4CYP2C9CYP2D6

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-20110034514-A1 5-Lipoxygenase-Activating Protein (FLAP) Inhibitors AMIRA PHARMACEUTICALS, INC. (US) 2011-02-10 US disclosed
US-7834037-B2 1,3,5-Substituted indole derivatives, e.g., 3-[3-tert-butylthio-1-[4-(6-methoxypyridin-3-yl)-benzyl]-5-(pyridin-2-ylmethoxy)-indol-2-yl]-2,2-dimethyl-propionic acid; used alone and in combination with other compounds for treating leukotriene-dependent diseases such as respiratory and cardiovascular AMIRA PHARMACEUTICALS, INC. (US) 2010-11-16 US disclosed
US-20090018170-A1 1,3,5-Substituted indole derivatives, e.g., 3-[3-tert-butylthio-1-[4-(6-methoxypyridin-3-yl)-benzyl]-5-(pyridin-2-ylmethoxy)-indol-2-yl]-2,2-dimethyl-propionic acid; used alone and in combination with other compounds for treating leukotriene-dependent diseases such as respiratory and cardiovascular AMIRA PHARMACEUTICALS, INC. (US) 2009-01-15 US disclosed
EP-1943266-A2 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS Amira Pharmaceuticals, Inc. (US) 2008-07-16 EP disclosed
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-20 US disclosed
WO-2007056228-A2 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (GB) 2007-05-18 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 (3 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-20090018170-A1 1,3,5-Substituted indole derivatives, e.g., 3-[3-tert-butylthio-1-[4-(6-methoxypyridin-3-yl)-benzyl]-5-(pyridin-2-ylmethoxy)-indol-2-yl]-2,2-dimethyl-propionic acid; used alone and in combination with other compounds for treating leukotriene-dependent diseases such as respiratory and cardiovascular LTC4S, ALOX5, LTA4H ALOX5AP 6/4885ALOX5 2/4885CYP3A4 1500/4885
US-20110034514-A1 5-Lipoxygenase-Activating Protein (FLAP) Inhibitors ALOX5, ALOX15B, ALOX15 ALOX5AP 4/4885ALOX5 1/4885CYP3A4 912/4885
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 ALOX5AP 4/4885ALOX5 1/4885CYP3A4 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.