SCHEMBL12025751

SCHEMBL12025751

COC(=O)[C@H](CCC1CCN(C)CC1)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.45
ITGA2B P08514 5/20 0.45
CTSK P43235 3/20 0.43
CTSS P25774 2/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CHRM3 P20309 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
YAP1 P46937 1/20 0.38
TSHR P16473 1/20 0.38
CACNA1B Q00975 1/20 0.38
SCN9A Q15858 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL12025778 1.00 ITGB3 (0.45) ITGB3ITGA2BCTSKCTSSBCHE
SCHEMBL26087420 0.89 CTSK (0.51) ITGB3ITGA2BCTSKCTSSNFKB1
SCHEMBL26448028 0.89 CTSK (0.51) ITGB3ITGA2BCTSKCTSSNFKB1
SCHEMBL12025753 0.88 CTSK (0.46) ITGB3ITGA2BCTSKCTSSBCHE
SCHEMBL29968816 0.88 CTSK (0.52) ITGB3ITGA2BCTSKCTSSNFKB1
SCHEMBL29189905 0.88 CTSK (0.52) ITGB3ITGA2BCTSKCTSSNFKB1
SCHEMBL27444793 0.85 CTSK (0.54) ITGB3ITGA2BCTSKCTSSNFKB1
SCHEMBL4610242 0.83 CTSK (0.43) ITGB3ITGA2BCTSKCTSSBCHE
SCHEMBL12025777 0.83 CTSK (0.43) ITGB3ITGA2BCTSKCTSSBCHE
SCHEMBL4610244 0.83 CTSK (0.43) ITGB3ITGA2BCTSKCTSSBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611290-B2 Trypsin-like serine protease inhibitors, and their preparation and use THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2017-04-04 US disclosed
US-9611290-B2 Trypsin-like serine protease inhibitors, and their preparation and use THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2017-04-04 US disclosed
US-20140073573-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2014-03-13 US disclosed
US-20110301196-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2011-12-08 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-20140073573-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE SERPINE1, SPINT2, SERPINB1 ITGB3 859/4885ITGA2B 1362/4885CTSK 116/4885
US-20110301196-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE SERPINE1, SPINT2, SERPINB1 ITGB3 859/4885ITGA2B 1362/4885CTSK 116/4885

“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.