SCHEMBL4405682

SCHEMBL4405682

CC(=O)C[C@H]1C(=O)OCN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.38
MT-CO2 P00403 1/20 0.32
ALOX5 P09917 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
SCHEMBL4405687 1.00 USP2 (0.38) USP2MT-CO2ALOX5
SCHEMBL21837802 0.80 USP2 (0.35) USP2
SCHEMBL21837798 0.80 USP2 (0.35) USP2
SCHEMBL31162268 0.77 USP2 (0.34) USP2
SCHEMBL22552472 0.76 USP2 (0.33) USP2
SCHEMBL22552473 0.76 USP2 (0.33) USP2
SCHEMBL22122351 0.73 USP2 (0.32) USP2
SCHEMBL22122354 0.73 USP2 (0.32) USP2
SCHEMBL21838077 0.73 USP2 (0.31) USP2
SCHEMBL21837801 0.73 USP2 (0.31) USP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073662-A1 Spirocyclic nitriles as protease inhibitors SANOFI (FR) 2014-03-13 US disclosed
US-8609681-B2 Spirocyclic nitriles as protease inhibitors SANOFI (FR) 2013-12-17 US disclosed
US-20090275523-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2009-11-05 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 (2 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-20090275523-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP USP2 763/4885MT-CO2 3987/4885ALOX5 944/4885
US-20140073662-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP USP2 763/4885MT-CO2 3987/4885ALOX5 944/4885

“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.