SCHEMBL3098657

SCHEMBL3098657

CCOC(=O)C(C)(C)Cc1c(C(=O)CC(C)(C)C)c2nc(OC)ccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 12/20 0.50
PTGES O14684 4/20 0.50
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
ALOX5AP P20292 3/20 0.44
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TBXA2R P21731 2/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL13180939 0.91 PTGES2 (0.41) PTGES2PTGESPTGS1PTGS2ALOX5AP
SCHEMBL3100480 0.90 PTGES2 (0.61) PTGES2PTGESPTGS1PTGS2ALOX5AP
SCHEMBL23641032 0.83 PTGES2 (0.60) PTGES2PTGESPTGS1PTGS2ALOX5AP
SCHEMBL23270745 0.79 PTGES2 (0.80) PTGES2PTGESPTGS1PTGS2ALOX5AP
SCHEMBL30770982 0.78 PTGES2 (0.58) PTGES2PTGESPTGS1PTGS2ALOX5AP
SCHEMBL23270776 0.78 PTGES2 (0.58) PTGES2PTGESPTGS1PTGS2ALOX5AP
SCHEMBL3094540 0.78 TBXA2R (0.46) PTGES2ALOX5APKDM4EMAPTTDP1
SCHEMBL25968363 0.75 PTGES2 (0.64) PTGES2PTGESPTGS1PTGS2ALOX5AP
SCHEMBL23641194 0.74 PTGES2 (0.58) PTGES2PTGESPTGS1PTGS2ALOX5AP
SCHEMBL23270813 0.74 PTGES2 (0.62) PTGES2PTGESPTGS1PTGS2ALOX5AP

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 13 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
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-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-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-7405302-B2 5-lipoxygenase-activating protein (FLAP) inhibitors AMIRA PHARMACEUTICALS, INC. (US) 2008-07-29 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
US-20070123522-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-05-31 US disclosed
US-20070123522-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-05-31 US disclosed
WO-2007047207-A2 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-04-26 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 (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 PTGES2 29/4885PTGES 15/4885PTGS1 27/4885
US-20070123522-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 PTGES2 29/4885PTGES 15/4885PTGS1 27/4885

“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.