SCHEMBL3029296

SCHEMBL3029296

COc1ccc(CSC[C@@](N)(C(=O)O)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.51
PPARA Q07869 5/20 0.51
ACE P12821 1/20 0.43
EPHX1 P07099 1/20 0.41
IDO1 P14902 2/20 0.40
FFAR1 O14842 1/20 0.40
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
PPARD Q03181 2/20 0.38
LDHA P00338 1/20 0.38
MAPT P10636 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
SCHEMBL3026074 0.90 PPARG (0.48) PPARGPPARAACEEPHX1IDO1
SCHEMBL3031214 0.90 PPARG (0.48) PPARGPPARAACEEPHX1IDO1
SCHEMBL28328284 0.87 PPARG (0.48) PPARGPPARAACEIDO1SMN1; SMN2
SCHEMBL5353582 0.85 ALDH1A1 (0.47) PPARGPPARAACEGAAALDH1A1
SCHEMBL21248631 0.83 LDHA (0.46) PPARGPPARASMN1; SMN2LDHA
SCHEMBL28860479 0.83 LDHA (0.46) PPARGPPARASMN1; SMN2LDHA
SCHEMBL5350575 0.80 ALDH1A1 (0.43) PPARGPPARAALDH1A1SMN1; SMN2PKM
SCHEMBL28001541 0.79 L3MBTL1 (0.45) PPARGPPARAIDO1FFAR1ALDH1A1
SCHEMBL9166221 0.78 PPARA (0.50) PPARGPPARAACEEPHX1IDO1
SCHEMBL14535477 0.77 KMT2A (0.43) PPARGPPARAACEEPHX1IDO1

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.