SCHEMBL2811046

SCHEMBL2811046

CC(C)(C)OC(=O)NS(=O)(=O)N1CCN(c2cccc(Cn3c(C(=O)OCc4ccccc4)c(-c4ccc(C(C)(C)C)cc4)c4ccccc43)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 4/20 0.42
PPARG P37231 6/20 0.42
TDP1 Q9NUW8 1/20 0.37
MCL1 Q07820 3/20 0.36
BCL2A1 Q16548 3/20 0.36
BCL2 P10415 2/20 0.36
BCL2L1 Q07817 2/20 0.36
EDNRB P24530 2/20 0.34
EDNRA P25101 2/20 0.34
HDAC6 Q9UBN7 2/20 0.33
CNR2 P34972 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL2806631 0.92 SERPINE1 (0.49) SERPINE1PPARGMCL1BCL2A1BCL2
SCHEMBL2805759 0.83 SERPINE1 (0.42) SERPINE1PPARGEDNRBEDNRAHDAC6
SCHEMBL2809638 0.80 SERPINE1 (0.53) SERPINE1PPARGMCL1BCL2A1BCL2
SCHEMBL2811721 0.80 SERPINE1 (0.53) SERPINE1PPARGMCL1BCL2A1BCL2
SCHEMBL2809128 0.77 SERPINE1 (0.41) SERPINE1PPARGEDNRBEDNRA
SCHEMBL2810210 0.77 SERPINE1 (0.41) SERPINE1PPARGEDNRBEDNRA
SCHEMBL2810026 0.76 SERPINE1 (0.51) SERPINE1PPARGEDNRBEDNRA
SCHEMBL13168959 0.76 PPARG (0.40) SERPINE1PPARGEDNRBEDNRACNR2
SCHEMBL2811763 0.75 SERPINE1 (0.49) SERPINE1PPARGEDNRBEDNRA
SCHEMBL2810946 0.75 SERPINE1 (0.51) SERPINE1PPARGEDNRBEDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240642-A1 1H-Indole-2-Carboxylic Acid Derivatives Useful As PPAR Modulators SMITHKLINE BEECHAM CORPORATION (US) 2010-09-23 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 (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-20100240642-A1 1H-Indole-2-Carboxylic Acid Derivatives Useful As PPAR Modulators PPARD, PPARA, PPARG SERPINE1 4215/4885PPARG 3/4885TDP1 3904/4885

“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.