SCHEMBL6687979

SCHEMBL6687979

CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)(C)c1ccc(Br)cc1)C(C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.66
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
S1PR4 O95977 1/20 0.32
LMNA P02545 1/20 0.32
S1PR1 P21453 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MME P08473 1/20 0.31
ACE P12821 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ADAM17 P78536 1/20 0.30
CTSB P07858 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30

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
SCHEMBL6687972 1.00 TUBB1 (0.66) TUBB1KDM4EGAATDP1MAPT
SCHEMBL6806247 1.00 TUBB1 (0.66) TUBB1KDM4EGAATDP1MAPT
SCHEMBL6671869 0.94 TUBB1 (0.67) TUBB1GAAKMT2AMEN1NPSR1
SCHEMBL20732296 0.94 TUBB1 (0.67) TUBB1NPSR1
SCHEMBL6670372 0.94 TUBB1 (0.67) TUBB1GAAKMT2AMEN1NPSR1
SCHEMBL27407767 0.94 TUBB1 (0.67) TUBB1NPSR1
SCHEMBL6674543 0.94 TUBB1 (0.67) TUBB1NPSR1MMP3
SCHEMBL6673649 0.94 TUBB1 (0.67) TUBB1NPSR1MMP3
SCHEMBL6674364 0.92 TUBB1 (0.67) TUBB1GAATDP1KMT2AMEN1
SCHEMBL6671858 0.92 TUBB1 (0.67) TUBB1GAATDP1KMT2AMEN1

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
US-20040121965-A1 Method of treating resistant tumors WYETH HOLDINGS CORPORATION (US) 2004-06-24 US disclosed
WO-2004026293-A2 HEMIASTERLIN DERIVATIVES FOR TREATING RESISTANT TUMORS WYETH HOLDINGS CORPORATION (US) 2004-04-01 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-20040121965-A1 Method of treating resistant tumors SLC11A2, VHL, REN TUBB1 199/4885KDM4E 2744/4885GAA 328/4885

“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.