SCHEMBL2104073

SCHEMBL2104073

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.40
ANPEP P15144 5/20 0.40
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CTSS P25774 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PEPD P12955 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
SCHEMBL697618 1.00 MMP2 (0.40) MMP2ANPEPTP53ALDH1A1CYP3A4
SCHEMBL697247 0.88 MMP2 (0.39) MMP2ANPEPTP53ALDH1A1CYP3A4
SCHEMBL2105252 0.88 MMP2 (0.39) MMP2ANPEPTP53ALDH1A1CYP3A4
SCHEMBL696018 0.84 MMP2 (0.44) MMP2ANPEPTP53ALDH1A1MEN1
SCHEMBL2105273 0.84 MMP2 (0.44) MMP2ANPEPTP53ALDH1A1MEN1
SCHEMBL699042 0.79 NR1H2 (0.39) MMP2ANPEPTP53ALDH1A1CYP3A4
SCHEMBL696717 0.79 MMP2 (0.35) MMP2ANPEPTP53ALDH1A1CYP3A4
SCHEMBL2105235 0.76 MMP2 (0.47) MMP2ANPEPCYP3A4CTSSMEN1
SCHEMBL694851 0.76 MMP2 (0.47) MMP2ANPEPCYP3A4CTSSMEN1
SCHEMBL2104430 0.73 CTSS (0.54) MMP2CTSS

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
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
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 107/4885TP53 3172/4885

“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.