SCHEMBL12428109

SCHEMBL12428109

Cc1ccc(S(=O)(=O)OC[C@@H]2CCCN2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.50
CHRNB4 P30926 7/20 0.49
CHRNA3 P32297 7/20 0.49
CHRNB2 P17787 6/20 0.49
CHRNB1 P11230 5/20 0.49
CHRNB3 Q05901 5/20 0.49
CHRNA4 P43681 4/20 0.49
CHRNA5 P30532 1/20 0.47
CHRNA7 P36544 1/20 0.47
CYP2D6 P10635 1/20 0.47
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
DRD3 P35462 1/20 0.46

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
SCHEMBL12428110 1.00 HTR6 (0.50) HTR6CHRNB4CHRNA3CHRNB2CHRNB1
SCHEMBL9676145 0.96 HTR6 (0.46) HTR6CHRNB4CHRNA3CHRNB2CHRNB1
SCHEMBL31719332 0.89 HTR6 (0.48) HTR6CHRNB4CHRNA3CHRNB2CHRNB1
SCHEMBL27031271 0.86 HTR6 (0.47) HTR6CYP2D6DRD2DRD1DRD4
SCHEMBL8206525 0.83 CASP3 (0.55)
SCHEMBL8206528 0.83 CASP3 (0.55)
SCHEMBL5337048 0.83 CASP3 (0.55)
SCHEMBL17846419 0.82 CYP2D6 (0.42) HTR6CYP2D6DRD2DRD1DRD4
SCHEMBL3129424 0.81 FFAR1 (0.45) CYP2D6
SCHEMBL16032031 0.81 ALDH1A1 (0.44) CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841295-B2 5-lipoxygenase-activating protein (FLAP) inhibitors PANMIRA PHARMACEUTICALS, LLC (US) 2014-09-23 US disclosed
US-20140018394-A1 5-LIPOXGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AUTOIMMUNE PHARMA LLC 2014-01-16 US disclosed
US-8546431-B2 5-lipoxygenase-activating protein (FLAP) inhibitors PANMIRA PHARMACEUTICALS, LLC (US) 2013-10-01 US disclosed
US-20130102636-A1 5-Lipoxygenase-Activating Protein (FLAP) Inhibitors Panmira Pharmaceuticals, Inc. (US) 2013-04-25 US disclosed
US-8399666-B2 5-lipoxygenase-activating protein (FLAP) inhibitors PANMIRA PHARMACEUTICALS, LLC (US) 2013-03-19 US disclosed
US-7977359-B2 5-lipdxygenase-activating protein (FLAP) inhibitors AMIRA PHARMACEUTICALS, INC. (US) 2011-07-12 US disclosed
US-20110118315-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. 2011-05-19 US disclosed
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-20090221574-A1 5-Lipoxygenase-Activating Protein (FLAP) Inhibitors AMIRA PHARMACEUTICALS, INC. (US) 2009-09-03 US disclosed
US-20090192171-A1 5-Lipoxygenase-Activating Protein (FLAP) Inhibitors AMIRA PHARMACEUTICALS, INC. (US) 2009-07-30 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
US-20070244128-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-10-18 US disclosed
US-20070225285-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-27 US disclosed
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-20 US disclosed
US-20070105866-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-05-10 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 (11 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-20070105866-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 HTR6 2058/4885CHRNB4 4214/4885CHRNA3 4672/4885
US-20070225285-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 HTR6 2058/4885CHRNB4 4214/4885CHRNA3 4672/4885
US-20070244128-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 HTR6 2058/4885CHRNB4 4214/4885CHRNA3 4672/4885
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 HTR6 401/4885CHRNB4 3436/4885CHRNA3 3235/4885
US-20090221574-A1 5-Lipoxygenase-Activating Protein (FLAP) Inhibitors ALOX5, ALOX15B, ALOX15 HTR6 2058/4885CHRNB4 4214/4885CHRNA3 4672/4885
US-20110034514-A1 5-Lipoxygenase-Activating Protein (FLAP) Inhibitors ALOX5, ALOX15B, ALOX15 HTR6 2058/4885CHRNB4 4214/4885CHRNA3 4672/4885
US-20110118315-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 HTR6 2058/4885CHRNB4 4214/4885CHRNA3 4672/4885
US-20090192171-A1 5-Lipoxygenase-Activating Protein (FLAP) Inhibitors ALOX5, ALOX15B, ALOX15 HTR6 2058/4885CHRNB4 4214/4885CHRNA3 4672/4885
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 HTR6 2058/4885CHRNB4 4214/4885CHRNA3 4672/4885
US-20140018394-A1 5-LIPOXGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, LTA4H, ALOX5AP HTR6 2260/4885CHRNB4 4365/4885CHRNA3 4707/4885
US-20130102636-A1 5-Lipoxygenase-Activating Protein (FLAP) Inhibitors ALOX5, ALOX15B, ALOX15 HTR6 1441/4885CHRNB4 4368/4885CHRNA3 4395/4885

“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.