SCHEMBL1968182

SCHEMBL1968182

CC(C)OC(=O)CC(CO)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.47
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CTSK P43235 10/20 0.43
CTSS P25774 4/20 0.38
ATM Q13315 1/20 0.37
CTSL P07711 2/20 0.37
CTSB P07858 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
AAK1 Q2M2I8 1/20 0.35

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
SCHEMBL1968178 1.00 CYP2D6 (0.47) CYP2D6CA1CA2CA7CTSK
SCHEMBL344731 0.87 CYP2D6 (0.55) CYP2D6CA1CA2CA7CTSK
SCHEMBL29990821 0.87 CYP2D6 (0.55) CYP2D6CA1CA2CA7CTSK
SCHEMBL168389 0.87 CYP2D6 (0.55) CYP2D6CA1CA2CA7CTSK
SCHEMBL3689498 0.87 CYP2D6 (0.55) CYP2D6CA1CA2CA7CTSK
SCHEMBL272149 0.85 CYP2D6 (0.46) CYP2D6CA1CA2CA7CTSK
SCHEMBL14489658 0.85 CYP2D6 (0.46) CYP2D6CA1CA2CA7CTSK
SCHEMBL272147 0.85 CYP2D6 (0.46) CYP2D6CA1CA2CA7CTSK
SCHEMBL4747461 0.84 CYP2D6 (0.53) CYP2D6CA1CA2CA7CTSK
SCHEMBL8972192 0.82 CYP2D6 (0.50) CYP2D6CA1CA2CA7CTSK

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
EP-2230238-B1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG LIFE SCIENCES LTD (KR) 2013-12-11 EP disclosed
US-8349885-B2 Indole and indazole derivatives having a cell-, tissue- and organ-preserving effect LG LIFE SCIENCES LTD. (KR) 2013-01-08 US disclosed
US-20120270203-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG CHEM, LTD. (KR) 2012-10-25 US disclosed
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
EP-2334689-A2 FUSED HETEROCYCLIC COMPOUND LG Life Sciences Ltd. (KR) 2011-06-22 EP disclosed
US-20100291533-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG LIFE SCIENCES LTD. (KR) 2010-11-18 US disclosed
EP-2230238-A2 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG Life Sciences Ltd. (KR) 2010-09-22 EP disclosed
WO-2010027236-A2 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2010-03-11 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-20120270203-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT IDO1, IDO2, INMT CYP2D6 1186/4885CA1 949/4885CA2 1053/4885
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND F2, PF4, F11 CYP2D6 1195/4885CA1 3713/4885CA2 2272/4885
US-20100291533-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT IDO1, IDO2, INMT CYP2D6 1186/4885CA1 949/4885CA2 1053/4885

“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.