SCHEMBL6663778

SCHEMBL6663778

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.39
EGFR P00533 3/20 0.39
PIM1 P11309 2/20 0.39
CYP19A1 P11511 1/20 0.39
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
BLM P54132 4/20 0.34
NSD2 O96028 3/20 0.34
POLB P06746 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
LMNA P02545 4/20 0.34
MAPK1 P28482 4/20 0.34
RECQL P46063 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
USP2 O75604 2/20 0.34
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34

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
SCHEMBL6663782 0.93 ELANE (0.35) ELANEEGFRPIM1CYP19A1MEN1
SCHEMBL6662493 0.89 MEN1 (0.41) ELANEEGFRMEN1KMT2ABLM
Trifluoroacetic Acid SCHEMBL6663762 0.88 CYP19A1 (0.42) ELANEEGFRPIM1CYP19A1MEN1
SCHEMBL6662332 0.87 BLM (0.39) ELANEEGFRMEN1KMT2ABLM
SCHEMBL6661292 0.86 CYP19A1 (0.42) ELANEEGFRPIM1CYP19A1MEN1
Trifluoroacetic Acid SCHEMBL6662615 0.86 MEN1 (0.44) EGFRPIM1CYP19A1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL6662329 0.84 MEN1 (0.42) EGFRPIM1CYP19A1MEN1KMT2A
SCHEMBL6666092 0.81 MEN1 (0.42) ELANEEGFRCYP19A1MEN1KMT2A
SCHEMBL6661299 0.79 CYP19A1 (0.37) ELANEEGFRPIM1CYP19A1MEN1
Trifluoroacetic Acid SCHEMBL6666089 0.79 MEN1 (0.46) EGFRPIM1CYP19A1MEN1KMT2A

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 ELANE 2663/4885EGFR 1444/4885PIM1 3004/4885

“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.