SCHEMBL6674333

SCHEMBL6674333

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CTSK P43235 5/20 0.37
CTSS P25774 3/20 0.37
CTSL P07711 2/20 0.37
CTSB P07858 1/20 0.37
CAPN1 P07384 1/20 0.34
CYP2D6 P10635 1/20 0.33
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CTRB1 P17538 1/20 0.32

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
SCHEMBL6674328 1.00 CA1 (0.38) CA1CA2CA7CTSKCTSS
SCHEMBL6672156 0.85 TUBB1 (0.41) CA1CA2CA7CTSKCTSS
SCHEMBL6672163 0.85 TUBB1 (0.41) CA1CA2CA7CTSKCTSS
SCHEMBL6688667 0.81 CA1 (0.36) CA1CA2CA7CTSKCTSS
SCHEMBL6688662 0.81 CA1 (0.36) CA1CA2CA7CTSKCTSS
SCHEMBL6673516 0.80 AAK1 (0.35) CTSKCTSSCTSLCTSB
SCHEMBL6673513 0.80 AAK1 (0.35) CTSKCTSSCTSLCTSB
SCHEMBL6676288 0.76 TUBB1 (0.51)
Hydrochloric Acid SCHEMBL6804585 0.75 TUBB1 (0.51)
SCHEMBL6673924 0.74 CTSK (0.43) CTSKCTSS

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 CA1 121/4885CA2 32/4885CA7 17/4885

“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.