SCHEMBL21089804

SCHEMBL21089804

CC(C)(C)OC(=O)NCCc1cccc(-c2cccc(CO)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.49
CTSK P43235 2/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
POLB P06746 1/20 0.46
NAMPT P43490 1/20 0.46
IDO1 P14902 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MTNR1A P48039 3/20 0.45
MTNR1B P49286 3/20 0.45
CA2 P00918 2/20 0.44
AKR1C3 P42330 1/20 0.44
CA1 P00915 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL9985225 0.93 NQO2 (0.52) NQO2CTSKPOLBNAMPTIDO1
SCHEMBL21090366 0.87 FDFT1 (0.47) NQO2POLBNAMPTIDO1KDM4E
SCHEMBL16410240 0.86 BRD4 (0.53) CTSKCTSBCTSSNAMPTCA1
SCHEMBL18070221 0.86 CTSK (0.47) NQO2CTSKCTSBCTSSPOLB
SCHEMBL15125652 0.86 NPC1 (0.49) NQO2CTSKCTSBCTSSPOLB
SCHEMBL12651361 0.85 FAAH (0.52) NQO2CTSKCTSBCTSSPOLB
SCHEMBL12303948 0.84 NQO2 (0.45) NQO2CTSKCTSBCTSSPOLB
SCHEMBL12607483 0.84 AOC3 (0.50) NQO2CTSKCTSBCTSSPOLB
SCHEMBL13400078 0.83 NQO2 (0.47) NQO2CTSKCTSBCTSSPOLB
SCHEMBL69058 0.82 NQO2 (0.62) NQO2CTSKPOLBNAMPTIDO1

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
CN-109689661-B Macrocyclic inhibitors of myeloperoxidase 百时美施贵宝公司 2021-10-15 CN disclosed
US-10577383-B2 Macrocyclic inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2020-03-03 US disclosed
US-20190177340-A1 MACROCYCLIC INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-06-13 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 (2 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-20190177340-A1 MACROCYCLIC INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 NQO2 933/4885CTSK 309/4885CTSB 166/4885
US-10577383-B2 Macrocyclic inhibitors of myeloperoxidase EPX, MPO, SERPINB1 NQO2 933/4885CTSK 309/4885CTSB 166/4885

“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.