SCHEMBL3023558

SCHEMBL3023558

CCOC(=O)CCC(C(=O)OC(C)(C)C)C(N)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
CTSK P43235 2/20 0.35
GAA P10253 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31

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
SCHEMBL20671217 0.82 CYP1A2 (0.43) CYP1A2L3MBTL1KMT2APOLBCYP2C9
SCHEMBL2254267 0.82 CYP1A2 (0.43) CYP1A2L3MBTL1KMT2APOLBCYP2C9
SCHEMBL31229277 0.82 CYP1A2 (0.43) CYP1A2L3MBTL1KMT2APOLBCYP2C9
SCHEMBL9644339 0.82 GABRP (0.42) CYP1A2KMT2ACYP2C19GAANOS1
SCHEMBL3034303 0.80 L3MBTL1 (0.35) CYP1A2L3MBTL1KMT2APOLBCYP2C9
SCHEMBL27647033 0.79 POLB (0.41) L3MBTL1POLBCYP2C19CYP4F2CYP4A11
SCHEMBL29831595 0.78 NOS1 (0.37) KMT2AGAANOS1NOS3NOS2
SCHEMBL3614758 0.78 NOS1 (0.36) KMT2ACTSKGAANOS1NOS3
SCHEMBL7387563 0.78 NOS1 (0.36) KMT2ACTSKGAANOS1NOS3
SCHEMBL5426250 0.78 NOS1 (0.36) KMT2ACTSKGAANOS1NOS3

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
CN-101801965-B Indole compounds as inhibitors of cellular necrosis LG LIFE SCIENCES LTD 2014-07-30 CN 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
CN-101801965-A Indole compounds as inhibitors of cellular necrosis LG LIFE SCIENCES LTD 2010-08-11 CN 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 CYP1A2 2170/4885L3MBTL1 3088/4885KMT2A 4406/4885
US-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF CYP1A2 2170/4885L3MBTL1 3088/4885KMT2A 4406/4885
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF CYP1A2 2170/4885L3MBTL1 3088/4885KMT2A 4406/4885

“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.