SCHEMBL2929067

SCHEMBL2929067

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.74
CTSK P43235 5/20 0.74
CTSL P07711 1/20 0.60
CTSB P07858 1/20 0.60
GRIA1 P42261 2/20 0.59
AKT1 P31749 1/20 0.58
BRD4 O60885 1/20 0.56
CHRND Q07001 5/20 0.56
CHRNA1 P02708 1/20 0.56
CHRNG P07510 1/20 0.56
CHRNB1 P11230 1/20 0.56
PTPN1 P18031 3/20 0.55
PTPRA P18433 1/20 0.55

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
SCHEMBL2927886 0.99 CTSS (0.73) CTSSCTSKCTSLCTSBGRIA1
SCHEMBL2922548 0.99 CTSS (0.73) CTSSCTSKCTSLCTSBGRIA1
SCHEMBL2928795 0.95 CTSS (0.78) CTSSCTSKCTSLCTSBGRIA1
SCHEMBL5665787 0.94 CTSS (0.67) CTSSCTSKGRIA1CHRNDCHRNA1
SCHEMBL21318569 0.94 CTSS (0.67) CTSSCTSKGRIA1CHRNDCHRNA1
SCHEMBL11681623 0.93 CTSS (0.69) CTSSCTSKCTSLCTSBGRIA1
SCHEMBL16909091 0.92 CTSS (0.68) CTSSCTSKCTSLCTSBGRIA1
SCHEMBL16909092 0.92 CTSS (0.68) CTSSCTSKCTSLCTSBGRIA1
SCHEMBL20866077 0.91 CTSS (0.73) CTSSCTSKCTSLCTSBGRIA1
SCHEMBL21068130 0.91 CTSS (0.73) CTSSCTSKCTSLCTSBGRIA1

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-1470101-B1 NEW OPIOID DERIVATIVE TEIKOKU SEIYAKU KK (JP) 2010-09-29 EP disclosed
US-6838580-B2 Opioid derivative TEIKOKU SEIYAKU CO., LTD. (JP) 2005-01-04 US disclosed
US-20030171302-A1 Opioid derivative TEIKOKU SEIYAKU CO., LTD. (JP) 2003-09-11 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-20030171302-A1 Opioid derivative OPRD1, OPRM1, OPRK1 CTSS 4429/4885CTSK 4478/4885CTSL 4340/4885

“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.