SCHEMBL3026073

SCHEMBL3026073

COC(=O)C(C(=O)OC(C)(C)C)C(N)SCc1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
KIF11 P52732 1/20 0.41
IDO1 P14902 2/20 0.40
ANPEP P15144 2/20 0.40
ERAP2 Q6P179 2/20 0.40
GAA P10253 1/20 0.39
ACE P12821 1/20 0.38
HTT P42858 1/20 0.38
LDHA P00338 1/20 0.38
F2RL1 P55085 1/20 0.38
CACNA1B Q00975 1/20 0.37

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
SCHEMBL3029294 0.90 EPHX1 (0.49) EPHX1PPARGPPARAL3MBTL1KIF11
SCHEMBL5353575 0.87 ALDH1A1 (0.45) EPHX1PPARGPPARAL3MBTL1ANPEP
SCHEMBL5350565 0.82 ALDH1A1 (0.42) L3MBTL1HTT
SCHEMBL3018780 0.78 EPHX1 (0.40) EPHX1PPARGPPARAL3MBTL1IDO1
SCHEMBL8932405 0.76 PPARG (0.52) EPHX1PPARGPPARAL3MBTL1IDO1
SCHEMBL7346010 0.74 LDHA (0.53) PPARGPPARAANPEPERAP2LDHA
SCHEMBL106531 0.74 LDHA (0.53) PPARGPPARAANPEPERAP2LDHA
SCHEMBL7518497 0.74 LDHA (0.53) PPARGPPARAANPEPERAP2LDHA
SCHEMBL7870056 0.73 PPARG (0.57) EPHX1PPARGPPARAL3MBTL1GAA
SCHEMBL1277641 0.73 KIF11 (0.55) EPHX1PPARGPPARAKIF11IDO1

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 EPHX1 2121/4885PPARG 3244/4885PPARA 2515/4885
US-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF EPHX1 2121/4885PPARG 3244/4885PPARA 2515/4885
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF EPHX1 2121/4885PPARG 3244/4885PPARA 2515/4885

“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.