SCHEMBL6671670

SCHEMBL6671670

CCOC(=O)C(C)=C[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.36
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
GLO1 Q04760 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
SCHEMBL6671661 1.00 AAK1 (0.36) AAK1NFKB1NFKB2RELAGLO1
SCHEMBL12202636 0.84 NFKB1 (0.33) AAK1NFKB1NFKB2RELAGLO1
SCHEMBL57433 0.82 NFKB1 (0.32) AAK1NFKB1NFKB2RELAGLO1
SCHEMBL10175776 0.82 NFKB1 (0.32) AAK1NFKB1NFKB2RELAGLO1
SCHEMBL6688667 0.81 CA1 (0.36) AAK1
SCHEMBL6688662 0.81 CA1 (0.36) AAK1
SCHEMBL6675216 0.80 DPP4 (0.39)
SCHEMBL6675219 0.80 DPP4 (0.39)
Hydrochloric Acid SCHEMBL6670921 0.79 DPP4 (0.38)
Hydrochloric Acid SCHEMBL6670922 0.79 DPP4 (0.38)

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 AAK1 4223/4885NFKB1 855/4885NFKB2 930/4885

“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.