SCHEMBL6663550

SCHEMBL6663550

COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OCCCNc2cccc3c2C(=O)c2ccccc2C3=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
EGFR P00533 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAD52 P43351 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BCL2 P10415 2/20 0.40
PTPN1 P18031 2/20 0.40
CACNA1B Q00975 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
SCHEMBL6662292 0.92 CTSS (0.46) ITGB3ITGA2BMEN1ALDH1A1EGFR
SCHEMBL6661594 0.92 CTSS (0.46) ITGB3ITGA2BMEN1ALDH1A1EGFR
SCHEMBL6663735 0.87 CTSS (0.48) ITGB3ITGA2BEPHX2KLK5CTSS
SCHEMBL6660460 0.84 CTSS (0.45) EPHX2PPARAKLK5CTSSCTSK
SCHEMBL6665187 0.84 CTSS (0.45) EPHX2PPARAKLK5CTSSCTSK
SCHEMBL6663606 0.83 MAPT (0.45) MEN1ALDH1A1EGFRLMNAPOLB
SCHEMBL6661970 0.82 NPC1 (0.46) ITGB3ITGA2BPOLBMAPTMAPK1
SCHEMBL6657720 0.82 MAPT (0.47) MEN1ALDH1A1EGFRLMNAPOLB
SCHEMBL6666346 0.82 MAPT (0.47) MEN1ALDH1A1EGFRLMNAPOLB
Trifluoroacetic Acid SCHEMBL6660386 0.82 MEN1 (0.42) MEN1ALDH1A1EGFRLMNAPOLB

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 4 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
EP-1087935-A1 ANTHRACENE DERIVATIVES AS ANTI-CANCER AGENTS BTG INTERNATIONAL LIMITED (GB) 2001-04-04 EP disclosed
WO-1999065866-A1 ANTHRACENE DERIVATIVES AS ANTI-CANCER AGENTS BTG INTERNATIONAL LIMITED (GB) 1999-12-23 WO 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 ITGB3 1068/4885ITGA2B 1368/4885MEN1 3787/4885

“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.