SCHEMBL487126

SCHEMBL487126

CC(C)(C)OC(=O)[C@H](Cc1ccccc1)n1cccc(NC(=O)OCc2ccccc2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CTSL P07711 1/20 0.43
SYK P43405 1/20 0.43
CASP3 P42574 1/20 0.41
CTRC Q99895 3/20 0.41
MAOB P27338 1/20 0.40
PTPN1 P18031 1/20 0.39

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
SCHEMBL487127 1.00 ELANE (0.49) ELANENPC1RAB9ACTSLSYK
SCHEMBL473208 0.92 ELANE (0.51) ELANENPC1RAB9ACTSLSYK
SCHEMBL473210 0.92 ELANE (0.51) ELANENPC1RAB9ACTSLSYK
SCHEMBL27691483 0.87 NPC1 (0.51) ELANENPC1RAB9ACASP3MAOB
SCHEMBL27691482 0.87 NPC1 (0.51) ELANENPC1RAB9ACASP3MAOB
SCHEMBL486965 0.87 ELANE (0.43) ELANENPC1RAB9ACTSL
SCHEMBL486964 0.87 ELANE (0.43) ELANENPC1RAB9ACTSL
SCHEMBL27711666 0.85 ELANE (0.41) ELANENPC1RAB9ACTSLSYK
SCHEMBL14664260 0.85 L3MBTL1 (0.44) ELANENPC1RAB9ACTSL
SCHEMBL487109 0.85 L3MBTL1 (0.44) ELANENPC1RAB9ACTSL

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362043-B2 Use in controlling apoptosis, as antiinflammatory agents, in treating autoimmune disease, as antiischemic agents, in treating cardiovascular disorders; for example, 3(R,S)-[2(S)-(3-Benzoylamino-2-oxo-2H-pyridin-1-yl)-3-phenyl-propionylamino]-5-fluoro-4-oxo-pentanoic acid VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-29 US disclosed
US-8362043-B2 Use in controlling apoptosis, as antiinflammatory agents, in treating autoimmune disease, as antiischemic agents, in treating cardiovascular disorders; for example, 3(R,S)-[2(S)-(3-Benzoylamino-2-oxo-2H-pyridin-1-yl)-3-phenyl-propionylamino]-5-fluoro-4-oxo-pentanoic acid VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-29 US disclosed
US-8362043-B2 Use in controlling apoptosis, as antiinflammatory agents, in treating autoimmune disease, as antiischemic agents, in treating cardiovascular disorders; for example, 3(R,S)-[2(S)-(3-Benzoylamino-2-oxo-2H-pyridin-1-yl)-3-phenyl-propionylamino]-5-fluoro-4-oxo-pentanoic acid VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-29 US disclosed
EP-1833794-B1 3-[2-(3-ACYLAMINO-2-OXO-2H-PYRIDIN-1-YL)-ACETYLAMINO]-4-OXO-PENTANOIC ACID DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS VERTEX PHARMA (US) 2012-02-01 EP disclosed
EP-1833794-A1 3-[2-(3-ACYLAMINO-2-OXO-2H-PYRIDIN-1-YL)-ACETYLAMINO]-4-OXO-PENTANOIC ACID DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS Vertex Pharmceuticals Incorporated (US) 2007-09-19 EP disclosed
US-20060160862-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2006-07-20 US disclosed
WO-2006057961-A1 3-[2-(3-ACYLAMINO-2-OXO-2H-PYRIDIN-1-YL)-ACETYLAMINO]-4-OXO-PENTANOIC ACID DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-01 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 (1 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-20060160862-A1 Caspase inhibitors and uses thereof CASP1, CASP5, CASP3 ELANE 343/4885NPC1 800/4885RAB9A 2315/4885

“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.