SCHEMBL6670901

SCHEMBL6670901

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.46
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
CAPN1 P07384 1/20 0.39
AAK1 Q2M2I8 1/20 0.38

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
SCHEMBL6670906 1.00 CTSK (0.46) CTSKCA1CA2CA7CTSL
SCHEMBL1912574 0.83 CYP1A2 (0.43) CTSKCA1CA2CA7CTSL
SCHEMBL1912578 0.83 CYP1A2 (0.43) CTSKCA1CA2CA7CTSL
SCHEMBL1912577 0.83 CYP1A2 (0.43) CTSKCA1CA2CA7CTSL
SCHEMBL6671664 0.82 MAPT (0.33) CTSKTP53CYP1A2CYP2C9CYP2C19
SCHEMBL6673634 0.82 MAPT (0.33) CTSKTP53CYP1A2CYP2C9CYP2C19
SCHEMBL28700539 0.81 CA1 (0.43) CTSKCA1CA2CA7CTSL
SCHEMBL6672423 0.79 GLO1 (0.37) CTSKCA1CA2CA7TP53
SCHEMBL6672418 0.79 GLO1 (0.37) CTSKCA1CA2CA7TP53
SCHEMBL15433060 0.78 ATM (0.52) CTSKCTSLCTSBCTSS

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 CTSK 964/4885CA1 121/4885CA2 32/4885

“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.