SCHEMBL16339241

SCHEMBL16339241

COC(=O)C1C=C(B2OC(C)(C)C(C)(C)O2)CN1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
P2RX7 Q99572 1/20 0.32

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
SCHEMBL21199572 0.86 MAPK1 (0.36) MAPK1P2RX7
SCHEMBL21199575 0.86 MAPK1 (0.36) MAPK1P2RX7
SCHEMBL16339902 0.84 USP30 (0.40) MAPK1
SCHEMBL28648680 0.84 USP30 (0.40) MAPK1
SCHEMBL16339903 0.84 USP30 (0.40) MAPK1
SCHEMBL27174551 0.78 MAPK1 (0.33) MAPK1P2RX7
SCHEMBL27174548 0.78 MAPK1 (0.33) MAPK1P2RX7
SCHEMBL23991519 0.76 USP30 (0.35)
SCHEMBL4068806 0.74 KIF11 (0.36) MAPK1P2RX7
SCHEMBL16386337 0.73 USP30 (0.39) MAPK1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3013333-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME (US) 2019-03-27 EP disclosed
EP-3013333-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C Merck Sharp & Dohme Corp. (US) 2016-05-04 EP disclosed
WO-2014209729-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2014-12-31 WO disclosed