SCHEMBL6805842

SCHEMBL6805842

CC/C(=C\[C@H](C(C)C)N(C(=O)[C@@H](NC)C(C)(C)c1ccccc1)[C@H](C(=O)NC)C(C)(C)C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.40
▸ MMP13 P45452 1/20 0.33
▸ BRD4 O60885 2/20 0.32
▸ ADAM17 P78536 6/20 0.31
▸ MMP2 P08253 6/20 0.31
▸ MMP3 P08254 5/20 0.31
▸ MMP1 P03956 2/20 0.31
▸ TNF P01375 1/20 0.31
▸ CNR2 P34972 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
SCHEMBL6288305 0.80 TUBB1 (0.36) TUBB1MMP13BRD4ADAM17MMP1
SCHEMBL58360 0.79 TUBB1 (0.63) TUBB1ADAM17MMP2MMP3MMP1
SCHEMBL14591310 0.79 TUBB1 (0.63) TUBB1ADAM17MMP2MMP3MMP1
SCHEMBL4375177 0.77 TUBB1 (0.38) TUBB1MMP13MMP2MMP3MMP1
SCHEMBL6674391 0.76 TUBB1 (0.47) TUBB1
SCHEMBL6671811 0.76 TUBB1 (0.41) TUBB1MMP13ADAM17MMP2MMP3
SCHEMBL6672372 0.76 TUBB1 (0.38) TUBB1MMP3MMP1
Trifluoroacetic Acid SCHEMBL6682843 0.75 TUBB1 (0.59) TUBB1MMP13ADAM17MMP2MMP3
SCHEMBL6260958 0.75 TUBB1 (0.41) TUBB1
SCHEMBL6671859 0.75 TUBB1 (0.44) TUBB1

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 1 patent. 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

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 199/4885MMP13 293/4885BRD4 2514/4885

“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.

Send feedback