SCHEMBL3468110

SCHEMBL3468110

CCC(CC)(C(=O)O)C(Cc1ccc(-c2ccc(C(F)(F)F)cn2)cc1)c1[nH]c2ccc(CCc3ccccn3)cc2c1SC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 16/20 0.39
PPARD Q03181 1/20 0.35
CYP2C9 P11712 4/20 0.34
CYP3A4 P08684 3/20 0.34
PTGS1 P23219 2/20 0.34
EGFR P00533 1/20 0.33
KDR P35968 1/20 0.33
CYP2D6 P10635 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
NR1I2 O75469 1/20 0.32
NMBR P28336 1/20 0.32
GRPR P30550 1/20 0.32
BRS3 P32247 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL3468313 0.90 ALOX5AP (0.50) ALOX5APCYP2C9CYP3A4PTGS1CYP2D6
SCHEMBL5518293 0.90 ALOX5AP (0.38) ALOX5APPPARDCYP2C9CYP3A4PTGS1
SCHEMBL3468347 0.89 ALOX5AP (0.40) ALOX5APPPARDCYP2C9CYP3A4PTGS1
SCHEMBL3434506 0.86 ALOX5AP (0.38) ALOX5APPPARDCYP2C9CYP3A4PTGS1
SCHEMBL5529090 0.84 PPARD (0.36) ALOX5APPPARDCYP2C9CYP3A4PTGS1
SCHEMBL5535144 0.83 ALOX5AP (0.48) ALOX5APCYP2C9CYP3A4PTGS1CYP2D6
SCHEMBL5537812 0.82 ALOX5AP (0.51) ALOX5APCYP2C9CYP3A4PTGS1CYP2D6
SCHEMBL5523418 0.82 ALOX5AP (0.48) ALOX5APCYP2C9CYP3A4PTGS1CYP2D6
SCHEMBL5531949 0.81 ALOX5AP (0.61) ALOX5APCYP2C9CYP3A4PTGS1
SCHEMBL3468133 0.81 ALOX5AP (0.53) ALOX5APCYP2C9CYP3A4PTGS1

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
EP-2144875-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS Amira Pharmaceuticals, Inc. (US) 2010-01-20 EP claimed
WO-2008137609-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2008-11-13 WO claimed
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-20 US claimed
EP-2144875-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS Amira Pharmaceuticals, Inc. (US) 2010-01-20 EP disclosed
WO-2008137609-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2008-11-13 WO disclosed
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-20 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 (1 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-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 ALOX5AP 4/4885PPARD 1469/4885CYP2C9 2125/4885

“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.