SCHEMBL6660460

SCHEMBL6660460

CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)OCCOCCNc1cccc2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.45
CTSK P43235 3/20 0.45
CTSB P07858 2/20 0.45
CTSL P07711 2/20 0.45
EPHX2 P34913 1/20 0.45
AKT1 P31749 1/20 0.44
ACE P12821 1/20 0.43
KLK5 Q9Y337 1/20 0.43
CCKAR P32238 4/20 0.43
CCKBR P32239 4/20 0.43
SCN9A Q15858 1/20 0.42
APP P05067 1/20 0.42
CA2 P00918 1/20 0.41
PARP1 P09874 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL6665187 1.00 CTSS (0.45) CTSSCTSKCTSBCTSLEPHX2
SCHEMBL6663735 0.95 CTSS (0.48) CTSSCTSKCTSBCTSLEPHX2
SCHEMBL6661594 0.91 CTSS (0.46) CTSSCTSKCTSBCTSLEPHX2
SCHEMBL6662292 0.91 CTSS (0.46) CTSSCTSKCTSBCTSLEPHX2
SCHEMBL6659165 0.86 MAPT (0.41) EPHX2CA2
SCHEMBL6664355 0.86 MAPT (0.41) EPHX2CA2
SCHEMBL6663550 0.84 ITGB3 (0.46) CTSSCTSKEPHX2AKT1KLK5
SCHEMBL6662026 0.80 MALT1 (0.45) EPHX2
SCHEMBL6658627 0.80 MALT1 (0.45) EPHX2
SCHEMBL6663606 0.80 MAPT (0.45) CTSK

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
EP-1087935-B1 ANTHRACENE DERIVATIVES AS ANTI-CANCER AGENTS BTG INT LTD (GB) 2004-08-18 EP disclosed
US-20030203975-A1 Anti-cancer agents BTG INTERNATIONAL LIMITED (GB) 2003-10-30 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-20030203975-A1 Anti-cancer agents TOP2B, TOP2A, TOP1 CTSS 980/4885CTSK 1295/4885CTSB 838/4885

“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.