SCHEMBL21914867

SCHEMBL21914867

CNC1CSCc2cc3cc(c2)CSCC(NC(=O)C(C)NC(=O)C(Cc2cccc4ccccc24)NC(=O)NC(=O)NC(C)NC1=O)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(=O)O)C(=O)NC(C(C)(C)C)C(=O)NC(C(N)=O)CSC3

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 6/20 0.49
EPHA2 P29317 2/20 0.44
CTSG P08311 3/20 0.43
PLAU P00749 1/20 0.42
LDLR P01130 5/20 0.41
PCSK9 Q8NBP7 5/20 0.41
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
PLG P00747 1/20 0.39
KLKB1 P03952 1/20 0.39
GRB7 Q14451 1/20 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
SCHEMBL23104927 0.91 CTSG (0.50) OPRK1EPHA2CTSGPLAULDLR
SCHEMBL23104900 0.89 CTSG (0.51) OPRK1EPHA2CTSGPLAULDLR
SCHEMBL20385922 0.88 CTSG (0.45) OPRK1EPHA2CTSGPLAULDLR
SCHEMBL20385895 0.87 GRB7 (0.49) OPRK1EPHA2CTSGPLAULDLR
SCHEMBL20385944 0.87 GRB7 (0.49) OPRK1EPHA2CTSGPLAULDLR
SCHEMBL20382863 0.86 CTSG (0.51) OPRK1EPHA2CTSGPLAULDLR
SCHEMBL20382865 0.86 CTSG (0.51) OPRK1EPHA2CTSGPLAULDLR
SCHEMBL23105035 0.85 CTSG (0.48) OPRK1EPHA2CTSGPLAULDLR
SCHEMBL22198564 0.84 CTSG (0.59) OPRK1EPHA2CTSGPLAULDLR
SCHEMBL20756513 0.84 CTSG (0.59) OPRK1EPHA2CTSGPLAULDLR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10624968-B2 Compounds for treating cancer Bicyclerd Limited (GB) 2020-04-21 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-10624968-B2 Compounds for treating cancer TP53, VHL, MYC OPRK1 3279/4885EPHA2 1788/4885CTSG 411/4885

“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.