SCHEMBL3026074

SCHEMBL3026074

COC(=O)[C@](N)(CSCc1ccc(OC)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.48
PPARA Q07869 2/20 0.48
ACE P12821 2/20 0.43
GAA P10253 1/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
IDO1 P14902 2/20 0.40
MAPT P10636 1/20 0.40
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.38
EPHX1 P07099 1/20 0.38
F2RL1 P55085 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL3031214 1.00 PPARG (0.48) PPARGPPARAACEGAAALDH1A1
SCHEMBL3029296 0.90 PPARG (0.51) PPARGPPARAACEGAAALDH1A1
SCHEMBL5353582 0.87 ALDH1A1 (0.47) PPARGPPARAACEGAAALDH1A1
SCHEMBL5350575 0.82 ALDH1A1 (0.43) PPARGPPARAALDH1A1SMN1; SMN2PKM
SCHEMBL3866872 0.78 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPTTP53
SCHEMBL14535477 0.77 KMT2A (0.43) PPARGPPARAACEGAAALDH1A1
SCHEMBL28328284 0.76 PPARG (0.48) PPARGPPARAACESMN1; SMN2IDO1
SCHEMBL19403370 0.76 PPARG (0.56) PPARGPPARAACEGAAALDH1A1
SCHEMBL21248631 0.75 LDHA (0.46) PPARGPPARASMN1; SMN2HTTF2RL1
SCHEMBL28860479 0.75 LDHA (0.46) PPARGPPARASMN1; SMN2HTTF2RL1

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 2515/4885ACE 2081/4885
US-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF PPARG 3244/4885PPARA 2515/4885ACE 2081/4885
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF PPARG 3244/4885PPARA 2515/4885ACE 2081/4885

“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.