SCHEMBL345955

SCHEMBL345955

CC(=O)C[C@](C)(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 2/20 0.46
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
ALOX15 P16050 1/20 0.44
TACR1 P25103 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 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
SCHEMBL31152359 0.92 CTSS (0.50) CTSSMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL31031483 0.92 CTSS (0.50) CTSSMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL31152389 0.92 CTSS (0.50) CTSSMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1198965 0.90 CTSS (0.53) CTSSMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL28290296 0.90 CTSS (0.53) CTSSMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL28290297 0.90 CTSS (0.53) CTSSMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL16970654 0.87 MEN1 (0.53) CTSSMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL345121 0.87 CTSS (0.51) CTSSMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL28525877 0.87 MEN1 (0.53) CTSSMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL347306 0.86 CTSS (0.50) CTSSMEN1KMT2AALDH1A1SMN1; SMN2

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 CTSS 24/4885MEN1 2471/4885KMT2A 4594/4885

“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.