SCHEMBL2491897

SCHEMBL2491897

CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OC(C)OC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.68
AKR1C3 P42330 2/20 0.62
CNR2 P34972 1/20 0.62
KDM4E B2RXH2 1/20 0.59
MEN1 O00255 1/20 0.59
PTGES O14684 1/20 0.59
ABCC3 O15438 1/20 0.59
ABCC4 O15439 1/20 0.59
ABCB11 O95342 1/20 0.59
MT-CO2 P00403 1/20 0.59
LMNA P02545 1/20 0.59
ALB P02768 1/20 0.59
CYP1A2 P05177 1/20 0.59
ABCB1 P08183 1/20 0.59
ALOX5 P09917 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
CXCL8 P10145 1/20 0.59
AR P10275 1/20 0.59
CYP2D6 P10635 1/20 0.59
MAPT P10636 1/20 0.59

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
SCHEMBL2491896 1.00 PTGS2 (0.68) PTGS2AKR1C3CNR2KDM4EMEN1
SCHEMBL8702796 0.85 PTGS2 (0.69) PTGS2AKR1C3CNR2PTGS1GLO1
SCHEMBL14761129 0.84 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL12336880 0.84 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL9235971 0.84 PTGS2 (0.74) PTGS2AKR1C3CNR2KDM4EMEN1
SCHEMBL10592773 0.83 PTGS2 (0.78) PTGS2AKR1C3CNR2KDM4EMEN1
SCHEMBL7618146 0.82 PTGS2 (0.79) PTGS2AKR1C3CNR2PTGS1GLO1
SCHEMBL7618152 0.82 PTGS2 (0.79) PTGS2AKR1C3CNR2PTGS1GLO1
SCHEMBL2739299 0.82 PTGS2 (1.00) PTGS2AKR1C3CNR2KDM4EMEN1
SCHEMBL2493085 0.81 PTGS2 (0.72) PTGS2PTGS1

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-20130065934-A1 FATTY ACID COX INHIBITOR DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-03-14 US claimed
US-20160106712-A1 FATTY ACID COX INHIBITOR DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS INC (US) 2016-04-21 US disclosed
US-9216224-B2 Fatty acid COX inhibitor derivatives and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2015-12-22 US disclosed
EP-2949344-A2 USE OF INTRACELLULAR ENZYMES FOR THE RELEASE OF COVALENTLY LINKED BIOACTIVES Catabasis Pharmaceuticals, Inc. (US) 2015-12-02 EP disclosed
US-20140315786-A1 USE OF INTRACELLULAR ENZYMES FOR THE RELEASE OF COVALENTLY LINKED BIOACTIVES CATABASIS PHARMACEUTICALS, INC. (US) 2014-10-23 US disclosed
EP-2685969-A2 USE OF INTRACELLULAR ENZYMES FOR THE RELEASE OF COVALENTLY LINKED BIOACTIVES Catabasis Pharmaceuticals, Inc. (US) 2014-01-22 EP disclosed
US-20130065934-A1 FATTY ACID COX INHIBITOR DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-03-14 US disclosed
WO-2012129112-A2 USE OF INTRACELLULAR ENZYMES FOR THE RELEASE OF COVALENTLY LINKED BIOACTIVES CATABASIS PHARMACEUTICALS, INC. (US) 2012-09-27 WO disclosed
WO-2011109681-A1 FATTY ACID COX INHIBITOR DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2011-09-09 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-20160106712-A1 FATTY ACID COX INHIBITOR DERIVATIVES AND THEIR USES PTGES, PTGES2, ALOX5 PTGS2 7/4885AKR1C3 626/4885CNR2 267/4885
US-20140315786-A1 USE OF INTRACELLULAR ENZYMES FOR THE RELEASE OF COVALENTLY LINKED BIOACTIVES GAA, GUSB, ACER2 PTGS2 1008/4885AKR1C3 1084/4885CNR2 3425/4885
US-20130065934-A1 FATTY ACID COX INHIBITOR DERIVATIVES AND THEIR USES PTGES, ALOX5, PTGES2 PTGS2 7/4885AKR1C3 603/4885CNR2 261/4885

“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.