SCHEMBL1193301

SCHEMBL1193301

CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCC(O)c3ccc(F)cc3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 20/20 1.00
ALOX5 P09917 8/20 0.68
CYP3A4 P08684 2/20 0.67
CYP2C9 P11712 2/20 0.67
KDM4E B2RXH2 1/20 0.67
MEN1 O00255 1/20 0.67
PTGES O14684 1/20 0.67
USP2 O75604 1/20 0.67
TP53 P04637 1/20 0.67
CYP1A2 P05177 1/20 0.67
POLB P06746 1/20 0.67
MAPT P10636 1/20 0.67
HPGD P15428 1/20 0.67
ALOX15 P16050 1/20 0.67
MAPK1 P28482 1/20 0.67
PTGS2 P35354 1/20 0.67
MTOR P42345 1/20 0.67
RECQL P46063 1/20 0.67
RAB9A P51151 1/20 0.67
BLM P54132 1/20 0.67

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
SCHEMBL3094527 0.88 ALOX5AP (0.79) ALOX5APALOX5CYP3A4CYP2C9KDM4E
SCHEMBL1193501 0.87 ALOX5AP (0.77) ALOX5AP
SCHEMBL1192789 0.87 ALOX5AP (1.00) ALOX5APALOX5CYP3A4CYP2C9KDM4E
SCHEMBL1193451 0.84 ALOX5AP (0.78) ALOX5APALOX5CYP3A4CYP2C9KDM4E
SCHEMBL1193455 0.84 ALOX5AP (0.78) ALOX5APALOX5CYP3A4CYP2C9KDM4E
SCHEMBL1193453 0.84 ALOX5AP (0.78) ALOX5APALOX5CYP3A4CYP2C9KDM4E
SCHEMBL1193495 0.84 ALOX5AP (0.83) ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL1193494 0.84 ALOX5AP (0.83) ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL1193778 0.83 ALOX5AP (0.82) ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL1193782 0.83 ALOX5AP (0.82) ALOX5APALOX5CYP3A4CYP2C9

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 9 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 claimed
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
EP-2144875-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS Amira Pharmaceuticals, Inc. (US) 2010-01-20 EP 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
WO-2008137609-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2008-11-13 WO 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.