SCHEMBL696717

SCHEMBL696717

COC(=O)[C@@H]1C[C@@H](S(=O)(=O)CC2CC2)CN1C(=O)C1(C)CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.35
ANPEP P15144 2/20 0.35
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CTSS P25774 1/20 0.31
PEPD P12955 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30

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
SCHEMBL696408 0.86 AGTR2 (0.35) CTSS
SCHEMBL697247 0.83 MMP2 (0.39) MMP2ANPEPTP53ALDH1A1MEN1
SCHEMBL2105252 0.83 MMP2 (0.39) MMP2ANPEPTP53ALDH1A1MEN1
SCHEMBL695023 0.79 CTSS (0.49) CTSS
SCHEMBL699042 0.79 NR1H2 (0.39) MMP2ANPEPPOLBTP53ALDH1A1
SCHEMBL697618 0.79 MMP2 (0.40) MMP2ANPEPTP53ALDH1A1MEN1
SCHEMBL2104073 0.79 MMP2 (0.40) MMP2ANPEPTP53ALDH1A1MEN1
SCHEMBL15327345 0.73 CTSS (0.35) CTSS
SCHEMBL14938109 0.73 MMP2 (0.51) MMP2ANPEPPOLBTP53ALDH1A1
SCHEMBL14939265 0.73 MMP2 (0.51) MMP2ANPEPPOLBTP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 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-20100267722-A1 NOVEL PROLINE DERIVATIVES PRAP1, PRR12, SLC6A7 MMP2 1229/4885ANPEP 107/4885POLB 3726/4885

“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.