SCHEMBL2485577

SCHEMBL2485577

COc1ccc2c(c1)c(CC(=O)NCCSSCCNC(=O)OC(C)(C)C)c(C)n2C(=O)c1ccc(Cl)cc1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.75
PTGS1 P23219 4/20 0.70
HRH4 Q9H3N8 1/20 0.70
HDAC3 O15379 3/20 0.65
HDAC1 Q13547 3/20 0.65
HDAC8 Q9BY41 3/20 0.65
HDAC6 Q9UBN7 3/20 0.65
HDAC2 Q92769 1/20 0.65

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
SCHEMBL2490459 0.94 PTGS2 (0.80) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL5112490 0.93 PTGS2 (0.78) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL17378051 0.93 PTGS2 (0.80) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL17378063 0.92 PTGS2 (0.80) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL2490543 0.91 PTGS2 (0.81) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL17378061 0.91 PTGS2 (0.80) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL2489007 0.90 PTGS2 (0.79) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL2489372 0.89 PTGS2 (0.76) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL12106622 0.85 PTGS2 (0.84) PTGS2PTGS1HRH4
SCHEMBL5797033 0.84 PTGS2 (1.00) PTGS2PTGS1HRH4HDAC3HDAC1

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 4 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-20130065934-A1 FATTY ACID COX INHIBITOR DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-03-14 US 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 (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-20160106712-A1 FATTY ACID COX INHIBITOR DERIVATIVES AND THEIR USES PTGES, PTGES2, ALOX5 PTGS2 7/4885PTGS1 4/4885HRH4 2792/4885
US-20130065934-A1 FATTY ACID COX INHIBITOR DERIVATIVES AND THEIR USES PTGES, ALOX5, PTGES2 PTGS2 7/4885PTGS1 4/4885HRH4 2805/4885

“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.