SCHEMBL6663782

SCHEMBL6663782

CC(C)[C@H](N)C(=O)OCCCNc1ccc(OC(=O)C(F)(F)F)c2c1C(=O)c1c(O)cccc1C2=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.35
CYP19A1 P11511 1/20 0.35
MEN1 O00255 2/20 0.34
NSD2 O96028 2/20 0.34
POLB P06746 2/20 0.34
BLM P54132 2/20 0.34
KMT2A Q03164 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 2/20 0.33
EGFR P00533 2/20 0.33
RAD52 P43351 1/20 0.33
RECQL P46063 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL6663778 0.93 ELANE (0.39) ELANECYP19A1MEN1NSD2POLB
SCHEMBL6662493 0.92 MEN1 (0.41) ELANEMEN1NSD2POLBBLM
SCHEMBL6662332 0.91 BLM (0.39) ELANEMEN1NSD2POLBBLM
Trifluoroacetic Acid SCHEMBL6663762 0.88 CYP19A1 (0.42) ELANECYP19A1MEN1NSD2POLB
SCHEMBL6661299 0.86 CYP19A1 (0.37) ELANECYP19A1MEN1NSD2POLB
SCHEMBL6666092 0.85 MEN1 (0.42) ELANECYP19A1MEN1NSD2POLB
Trifluoroacetic Acid SCHEMBL6662615 0.82 MEN1 (0.44) CYP19A1MEN1NSD2POLBBLM
Trifluoroacetic Acid SCHEMBL6662329 0.81 MEN1 (0.42) CYP19A1MEN1NSD2POLBBLM
SCHEMBL6661292 0.79 CYP19A1 (0.42) ELANECYP19A1MEN1NSD2POLB
Trifluoroacetic Acid SCHEMBL6663121 0.79 MAPT (0.47) MEN1NSD2POLBBLMKMT2A

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 ELANE 2663/4885CYP19A1 1005/4885MEN1 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.