SCHEMBL487052

SCHEMBL487052

CC(C)(C)OC(=O)[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)n1cccc(C(=O)O)c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
EPHX1 P07099 1/20 0.45
ADAM17 P78536 1/20 0.44
PDE10A Q9Y233 1/20 0.44
ACHE P22303 1/20 0.39
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
HTR6 P50406 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CCKAR P32238 2/20 0.36
CCKBR P32239 2/20 0.36
OPRD1 P41143 2/20 0.36
TACR1 P25103 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PIM1 P11309 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
SCHEMBL487053 1.00 L3MBTL1 (0.51) L3MBTL1EPHX1ADAM17PDE10AACHE
SCHEMBL28766689 0.94 L3MBTL1 (0.42) L3MBTL1EPHX1ADAM17PDE10AACHE
SCHEMBL487217 0.91 L3MBTL1 (0.49) L3MBTL1EPHX1ADAM17PDE10AACHE
SCHEMBL487219 0.91 L3MBTL1 (0.49) L3MBTL1EPHX1ADAM17PDE10AACHE
SCHEMBL27691484 0.85 L3MBTL1 (0.41) L3MBTL1EPHX1ADAM17PDE10AKDM4E
SCHEMBL27691487 0.85 L3MBTL1 (0.41) L3MBTL1EPHX1ADAM17PDE10AKDM4E
SCHEMBL487109 0.82 L3MBTL1 (0.44) L3MBTL1EPHX1ADAM17PDE10AACHE
SCHEMBL14664260 0.82 L3MBTL1 (0.44) L3MBTL1EPHX1ADAM17PDE10AACHE
SCHEMBL18258600 0.77 L3MBTL1 (0.56) L3MBTL1EPHX1ADAM17PDE10AACHE
SCHEMBL18258602 0.77 L3MBTL1 (0.56) L3MBTL1EPHX1ADAM17PDE10AACHE

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 5 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
US-20060160862-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2006-07-20 US 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 L3MBTL1 1197/4885EPHX1 976/4885ADAM17 22/4885

“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.