SCHEMBL14770342

SCHEMBL14770342

CC(C)(C)Cc1ccccc1Nc1c(Cl)cccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.56
CXCL8 P10145 4/20 0.56
TTR P02766 3/20 0.56
PTGS1 P23219 2/20 0.56
AKR1B10 O60218 1/20 0.56
UGT1A9 O60656 1/20 0.56
TRPA1 O75762 1/20 0.56
ABCB11 O95342 1/20 0.56
MT-CO2 P00403 1/20 0.56
ALB P02768 1/20 0.56
UGT1A6 P19224 1/20 0.56
UGT1A1 P22309 1/20 0.56
CXCR1 P25024 1/20 0.56
ADRA1A P35348 1/20 0.56
AGTR2 P50052 1/20 0.56
NR1I3 Q14994 1/20 0.56
SLC22A6 Q4U2R8 1/20 0.56
NR1H4 Q96RI1 1/20 0.56
UGT1A7 Q9HAW7 1/20 0.56
UGT1A10 Q9HAW8 1/20 0.56

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
SCHEMBL14785290 0.82 RIPK1 (0.46) PTGS2CXCL8PTGS1CYP2C9GAA
SCHEMBL764380 0.81 PTGS2 (0.66) PTGS2CXCL8TTRPTGS1AKR1B10
SCHEMBL9641224 0.79 PTGS2 (0.63) PTGS2CXCL8TTRPTGS1AKR1B10
SCHEMBL13909059 0.78 PTGS2 (0.58) PTGS2CXCL8TTRPTGS1AKR1B10
SCHEMBL31325350 0.77 PTGS2 (0.66) PTGS2CXCL8TTRPTGS1AKR1B10
SCHEMBL13653118 0.77 PTGS2 (0.61) PTGS2CXCL8TTRPTGS1AKR1B10
SCHEMBL11412764 0.77 PTGS2 (0.66) PTGS2CXCL8TTRPTGS1AKR1B10
SCHEMBL28718414 0.77 PTGS2 (0.61) PTGS2CXCL8TTRPTGS1AKR1B10
SCHEMBL13653119 0.77 PTGS2 (0.61) PTGS2CXCL8TTRPTGS1AKR1B10
SCHEMBL10001191 0.77 PTGS2 (0.69) PTGS2CXCL8TTRPTGS1AKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20150148306-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION KANDULA MAHESH (IN) 2015-05-28 US disclosed
US-20140315786-A1 USE OF INTRACELLULAR ENZYMES FOR THE RELEASE OF COVALENTLY LINKED BIOACTIVES CATABASIS PHARMACEUTICALS, INC. (US) 2014-10-23 US disclosed
US-20130065934-A1 FATTY ACID COX INHIBITOR DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-03-14 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 (4 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 7/4885CXCL8 1272/4885TTR 1985/4885
US-20150148306-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION IAPP, TTR, GPR119 PTGS2 2226/4885CXCL8 1585/4885TTR 2/4885
US-20140315786-A1 USE OF INTRACELLULAR ENZYMES FOR THE RELEASE OF COVALENTLY LINKED BIOACTIVES GAA, GUSB, ACER2 PTGS2 1008/4885CXCL8 1835/4885TTR 4489/4885
US-20130065934-A1 FATTY ACID COX INHIBITOR DERIVATIVES AND THEIR USES PTGES, ALOX5, PTGES2 PTGS2 7/4885CXCL8 1366/4885TTR 1881/4885

“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.