SCHEMBL10132109

SCHEMBL10132109

CN(C)c1cccc2c(S(=O)(=O)NCCNC(=O)c3ccc(Cl)cc3)cccc12

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.58
EPHX2 P34913 1/20 0.56
PTGS2 P35354 2/20 0.55
HDAC4 P56524 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
GBA1 P04062 3/20 0.47
GLB1 P16278 1/20 0.47
F2 P00734 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46

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
SCHEMBL14032789 0.90 EPHX2 (0.57) EDNRAEPHX2PTGS2HDAC4HDAC10
SCHEMBL30632892 0.90 EPHX2 (0.59) EDNRAEPHX2PTGS2HDAC4HDAC10
SCHEMBL12961986 0.85 EDNRA (0.61) EDNRAEPHX2PTGS2HDAC4HDAC10
SCHEMBL14828737 0.83 EDNRA (0.52) EDNRAEPHX2PTGS2HDAC4HDAC10
SCHEMBL18131884 0.83 EPHX2 (0.64) EDNRAEPHX2PTGS2HDAC4HDAC10
SCHEMBL21000152 0.83 EPHX2 (0.64) EDNRAEPHX2PTGS2HDAC4HDAC10
SCHEMBL10132110 0.82 EDNRA (0.62) EDNRAHDAC4HDAC10HDAC6HDAC5
SCHEMBL16316424 0.82 HDAC4 (0.65) EDNRAEPHX2PTGS2HDAC4HDAC10
Silver SCHEMBL18131892 0.81 EPHX2 (0.61) EDNRAEPHX2PTGS2HDAC4HDAC10
SCHEMBL12058681 0.81 EPHX2 (0.61) EDNRAEPHX2PTGS2HDAC4HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158063-A1 Compounds, Compositions and Methods Related to PPAR Antagonists GEORGETOWN UNIVERSITY (US) 2013-06-20 US disclosed
WO-2012027482-A2 COMPOUNDS, COMPOSITIONS AND METHODS RELATED TO PPAR ANTAGONISTS GEORGETOWN UNIVERSITY (US) 2012-03-01 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 (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-20130158063-A1 Compounds, Compositions and Methods Related to PPAR Antagonists PPARG, PPARA, PPARD EDNRA 902/4885EPHX2 2776/4885PTGS2 889/4885

“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.