SCHEMBL3034322

SCHEMBL3034322

CCC(C(=O)OC(C)(C)C)[C@H](N)O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
SLC7A5 Q01650 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
APLNR P35414 1/20 0.32
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30

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
SCHEMBL5426250 1.00 NOS1 (0.36) NOS1NOS3NOS2KMT2ALMNA
SCHEMBL27465052 1.00 NOS1 (0.36) NOS1NOS3NOS2KMT2ALMNA
SCHEMBL7387563 1.00 NOS1 (0.36) NOS1NOS3NOS2KMT2ALMNA
SCHEMBL3614758 1.00 NOS1 (0.36) NOS1NOS3NOS2KMT2ALMNA
SCHEMBL13892363 0.85 KMT2A (0.38) NOS1NOS3NOS2KMT2ALMNA
SCHEMBL28129784 0.84 NOS1 (0.36) NOS1NOS3NOS2KMT2ALMNA
SCHEMBL8007209 0.82 CA1 (0.34) NOS1NOS3NOS2KMT2ALMNA
SCHEMBL29831595 0.81 NOS1 (0.37) NOS1NOS3NOS2KMT2AMEN1
SCHEMBL27593350 0.81 NOS1 (0.34) NOS1NOS3NOS2APLNR
SCHEMBL7353444 0.81 TDP1 (0.37) NOS1NOS3NOS2KMT2ALMNA

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 8 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
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 NOS1 98/4885NOS3 116/4885NOS2 84/4885
US-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF NOS1 98/4885NOS3 116/4885NOS2 84/4885
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF NOS1 98/4885NOS3 116/4885NOS2 84/4885

“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.