SCHEMBL3032276

SCHEMBL3032276

COc1ccc(CSC[C@H](CO)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.64
PPARA Q07869 9/20 0.64
PPARD Q03181 2/20 0.50
ACE P12821 2/20 0.47
GAA P10253 1/20 0.44
CACNA1B Q00975 2/20 0.43
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
ATM Q13315 1/20 0.41
CTSK P43235 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL3032280 1.00 PPARG (0.64) PPARGPPARAPPARDACEGAA
SCHEMBL1277769 1.00 PPARG (0.64) PPARGPPARAPPARDACEGAA
SCHEMBL1277888 0.88 PPARG (0.62) PPARGPPARAPPARDACEGAA
SCHEMBL10511874 0.88 PPARG (0.62) PPARGPPARAPPARDACEGAA
SCHEMBL1277885 0.88 PPARG (0.62) PPARGPPARAPPARDACEGAA
SCHEMBL29401779 0.88 PPARG (0.63) PPARGPPARAPPARDACEATM
SCHEMBL1277672 0.86 PPARG (0.60) PPARGPPARAPPARDACEGAA
SCHEMBL1277670 0.86 PPARG (0.60) PPARGPPARAPPARDACEGAA
SCHEMBL3576526 0.86 PPARA (0.65) PPARGPPARAPPARDATMCTSK
SCHEMBL29401524 0.86 PPARA (0.65) PPARGPPARAPPARDATMCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889691-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2014-11-18 US disclosed
US-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2014-01-23 US disclosed
US-8569307-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2013-10-29 US disclosed
EP-2178869-B1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD (KR) 2013-06-12 EP disclosed
US-20120252798-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG CHEM, LTD. (KR) 2012-10-04 US disclosed
US-8222414-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2012-07-17 US disclosed
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2010-08-19 US disclosed
EP-2178869-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 EP disclosed
WO-2009025477-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 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 (3 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-20120252798-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF PPARG 3244/4885PPARA 2515/4885PPARD 2652/4885
US-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF PPARG 3244/4885PPARA 2515/4885PPARD 2652/4885
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF PPARG 3244/4885PPARA 2515/4885PPARD 2652/4885

“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.