SCHEMBL13864151

SCHEMBL13864151

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CTSK P43235 8/20 0.43
CTSS P25774 4/20 0.43
SYK P43405 1/20 0.41
CYP2D6 P10635 1/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CAPN1 P07384 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
ATM Q13315 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL13864146 1.00 CA1 (0.45) CA1CA2CA7CTSKCTSS
SCHEMBL12336373 0.90 CA1 (0.47) CA1CA2CA7CTSKCTSS
SCHEMBL6169919 0.90 CA1 (0.47) CA1CA2CA7CTSKCTSS
SCHEMBL4458434 0.90 CA1 (0.47) CA1CA2CA7CTSKCTSS
SCHEMBL12119817 0.90 CA1 (0.47) CA1CA2CA7CTSKCTSS
SCHEMBL1552535 0.90 CA1 (0.47) CA1CA2CA7CTSKCTSS
SCHEMBL13520371 0.90 CA1 (0.47) CA1CA2CA7CTSKCTSS
SCHEMBL6474347 0.90 CA1 (0.47) CA1CA2CA7CTSKCTSS
SCHEMBL20745544 0.90 CA1 (0.47) CA1CA2CA7CTSKCTSS
SCHEMBL29323075 0.87 CA1 (0.45) CA1CA2CA7CTSKCTSS

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-7528264-B2 Hydride reduction process for preparing quinolone intermediates THE PROCTER & GAMBLE COMPANY (US) 2009-05-05 US disclosed
US-20070232806-A1 Hydride reduction process for preparing quinolone intermediates THE PROCTER & GAMBLE COMPANY (US) 2007-10-04 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-20070232806-A1 Hydride reduction process for preparing quinolone intermediates NQO1, NQO2, POR CA1 3808/4885CA2 3365/4885CA7 2098/4885

“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.