SCHEMBL6671667

SCHEMBL6671667

CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)(C)c1cccc(Cl)c1)C(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.59
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MAPT P10636 5/20 0.33
GAA P10253 4/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
ATM Q13315 2/20 0.30
ALOX12 P18054 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6671852 1.00 TUBB1 (0.59) TUBB1MMP1MMP3MAPTGAA
SCHEMBL6671669 0.93 TUBB1 (0.59) TUBB1MMP1MMP3MAPTGAA
SCHEMBL6670790 0.93 TUBB1 (0.59) TUBB1MMP1MMP3MAPTGAA
SCHEMBL6810329 0.92 TUBB1 (0.58) TUBB1MAPTGAAALDH1A1ATM
SCHEMBL6810332 0.92 TUBB1 (0.58) TUBB1MAPTGAAALDH1A1ATM
SCHEMBL6799542 0.91 TUBB1 (0.57) TUBB1MAPTGAAALDH1A1ATM
SCHEMBL6805837 0.91 TUBB1 (0.57) TUBB1MAPTGAAALDH1A1ATM
SCHEMBL28964304 0.90 TUBB1 (0.57) TUBB1MAPTGAAATMALOX12
SCHEMBL6799864 0.90 TUBB1 (0.57) TUBB1MMP3MAPTGAAALDH1A1
SCHEMBL17992665 0.90 TUBB1 (0.57) TUBB1MAPTGAAATMALOX12

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
US-20040121965-A1 Method of treating resistant tumors WYETH HOLDINGS CORPORATION (US) 2004-06-24 US claimed
WO-2004026293-A2 HEMIASTERLIN DERIVATIVES FOR TREATING RESISTANT TUMORS WYETH HOLDINGS CORPORATION (US) 2004-04-01 WO claimed
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 199/4885MMP1 482/4885MMP3 136/4885

“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.