SCHEMBL6889561

SCHEMBL6889561

CCCC(NC(=O)OC(C)(C)C)N(CC(CCCCCCCS(=O)(=O)O)CN(C(=O)OC(C)(C)C)C(CCC)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA2 P00918 1/20 0.37
CTSK P43235 12/20 0.34
CTSS P25774 2/20 0.34
CA7 P43166 1/20 0.33

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
SCHEMBL3288389 0.87 TDP1 (0.41) CA12CA1CA14CA2CTSK
SCHEMBL3290851 0.86 CTSK (0.37) CA12CA1CA14CA2CTSK
SCHEMBL3287429 0.85 CA12 (0.36) CA12CA1CA14CA2CTSK
SCHEMBL6889549 0.85 CTSK (0.33) CA12CA1CA14CA2CTSK
SCHEMBL3293189 0.79 CAPN1 (0.39) CA12CA1CA14CA2CTSK
SCHEMBL7260635 0.74 TDP1 (0.36) CA12CA1CA14CA2CTSK
SCHEMBL7265955 0.74 CA12 (0.32) CA12CA1CA14CA2CTSK
SCHEMBL3288375 0.72 TDP1 (0.36) CTSKCTSS
SCHEMBL3290839 0.72 CTSK (0.35) CTSKCTSS
SCHEMBL3287414 0.72 CTSK (0.32) CA12CA1CA14CA2CTSK

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-20040024220-A1 Lipids CELLTECH R & D LIMITED 2004-02-05 US 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-20040024220-A1 Lipids PHOSPHO1, FABP7, MBOAT7 CA12 1777/4885CA1 1771/4885CA14 1988/4885

“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.