SCHEMBL10132110

SCHEMBL10132110

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

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 10/20 0.62
F2 P00734 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
CA2 P00918 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KAT6A Q92794 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NSD2 O96028 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HDAC1 Q13547 1/20 0.45

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
SCHEMBL10132109 0.82 EDNRA (0.58) EDNRAF2PRSS1PRSS2PRSS3
SCHEMBL10132112 0.78 EDNRA (0.53) EDNRAF2PRSS1PRSS2PRSS3
SCHEMBL13713919 0.76 F2 (0.62) EDNRAF2PRSS1PRSS2PRSS3
SCHEMBL10132113 0.76 EDNRA (0.50) EDNRAF2PRSS1PRSS2PRSS3
SCHEMBL15480547 0.75 EDNRA (0.71) EDNRAHDAC4HDAC10HDAC6HDAC5
SCHEMBL15047790 0.75 ALDH1A1 (0.48) EDNRAALDH1A1POLBTDP1HDAC4
SCHEMBL10132117 0.74 EDNRA (0.53) EDNRAF2PRSS1PRSS2PRSS3
SCHEMBL10122106 0.73 F2 (0.49) EDNRAF2PRSS1PRSS2PRSS3
SCHEMBL11406892 0.72 EDNRA (0.63) EDNRAF2PRSS1PRSS2PRSS3
SCHEMBL11402938 0.72 EDNRA (0.63) EDNRAF2PRSS1PRSS2PRSS3

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 902/4885F2 3352/4885PRSS1 2879/4885

“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.