SCHEMBL21089622

SCHEMBL21089622

CC(C)(C)OC(=O)NCC(=O)N(CCc1ccccc1)Cc1cccc(CO)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.47
CTSL P07711 2/20 0.47
CTSB P07858 2/20 0.47
SIGMAR1 Q99720 3/20 0.46
AKT1 P31749 3/20 0.43
PTGES O14684 1/20 0.42
CTSK P43235 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
IDO1 P14902 1/20 0.39
GLS O94925 1/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SYK P43405 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL21049888 0.84 KMT2A (0.44) L3MBTL1LPAR1LPAR5MEN1NPC1
SCHEMBL7472970 0.81 CTSS (0.62) CTSSCTSLCTSBSIGMAR1AKT1
SCHEMBL30855367 0.78 MTNR1A (0.47) CTSSCTSLCTSBPTGESL3MBTL1
SCHEMBL29194774 0.78 MTNR1A (0.47) CTSSCTSLCTSBPTGESL3MBTL1
SCHEMBL21089705 0.77 SCD (0.40) CTSSCTSLCTSBSIGMAR1PTGES
SCHEMBL20902266 0.75 CTSS (0.55) CTSSCTSLCTSBSIGMAR1AKT1
SCHEMBL11358431 0.75 CTSB (0.47) CTSSCTSLCTSBSIGMAR1AKT1
SCHEMBL9985225 0.74 NQO2 (0.52) SIGMAR1CTSKIDO1GLSTDP1
SCHEMBL1165088 0.74 GLS (0.55) L3MBTL1IDO1GLSCA12CA1
SCHEMBL30069429 0.74 GLS (0.55) L3MBTL1IDO1GLSCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CTSS 201/4885CTSL 253/4885CTSB 166/4885
US-10577383-B2 Macrocyclic inhibitors of myeloperoxidase EPX, MPO, SERPINB1 CTSS 201/4885CTSL 253/4885CTSB 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.