SCHEMBL2628231

SCHEMBL2628231

COC(=O)NC(CC(=O)O)Cc1ccsc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
OPRM1 P35372 8/20 0.42
OPRK1 P41145 6/20 0.42
OPRD1 P41143 5/20 0.42
MMEL1 Q495T6 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 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
SCHEMBL754158 1.00 MME (0.45) MMECTSSCTSKOPRM1OPRK1
SCHEMBL753184 0.81 CTRB1 (0.52) MMEMMEL1
SCHEMBL753199 0.81 CTRB1 (0.52) MMEMMEL1
SCHEMBL7440669 0.81 CTRB1 (0.52) MMEMMEL1
SCHEMBL22092489 0.80 MME (0.43) MMECTSSCTSKOPRM1OPRK1
SCHEMBL17931625 0.78 MME (0.49) MMEMMEL1MEN1KMT2A
SCHEMBL4665417 0.77 CASP3 (0.51) KMT2A
SCHEMBL2317792 0.76 MME (0.47) MMEOPRM1OPRK1OPRD1MMEL1
SCHEMBL2317781 0.76 MME (0.47) MMEOPRM1OPRK1OPRD1MMEL1
SCHEMBL13702575 0.76 MME (0.44) MMEOPRM1OPRK1OPRD1MMEL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
EP-2513091-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-12 EP disclosed
EP-2499132-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-02-15 EP disclosed
EP-2245027-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-04-25 EP disclosed