SCHEMBL345968

SCHEMBL345968

CC(=O)C[C@H]1C(=O)OCN1C(=O)OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.69
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
HTR2C P28335 1/20 0.44
F2 P00734 2/20 0.43
ELANE P08246 2/20 0.43
CTSG P08311 1/20 0.43

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
SCHEMBL5172119 0.90 USP2 (0.72) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL9494373 0.90 USP2 (0.72) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL346937 0.90 USP2 (0.72) USP2PSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL5171901 0.89 USP2 (0.71) USP2PSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL5171904 0.89 USP2 (0.71) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL9534489 0.88 USP2 (0.61) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL8196001 0.88 USP2 (0.73) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL9534501 0.88 USP2 (0.61) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL346978 0.88 USP2 (0.69) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL7797653 0.88 USP2 (0.69) USP2PSEN1PSEN2APH1BNCSTN

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-20120015933-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2012-01-19 US disclosed
US-8039480-B2 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2011-10-18 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-20120015933-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP USP2 763/4885PSEN1 699/4885PSEN2 1379/4885

“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.