SCHEMBL4680585

SCHEMBL4680585

CC(C)[CH]C(=O)N[C@@H](Cc1cccc(F)c1)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
SLC1A1 P43005 2/20 0.44
MAOB P27338 4/20 0.43
MAOA P21397 2/20 0.43
SCN9A Q15858 1/20 0.43
FCER2 P06734 2/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
ANPEP P15144 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
ROCK1 Q13464 1/20 0.41
HPGDS O60760 1/20 0.40

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
SCHEMBL23356941 0.81 SLC1A1 (0.54) CTSSCTSKSLC1A1FCER2MMP3
SCHEMBL23356943 0.81 SLC1A1 (0.54) CTSSCTSKSLC1A1FCER2MMP3
SCHEMBL4677385 0.80 FCER2 (0.45) CTSSCTSKSLC1A1FCER2MMP3
SCHEMBL21447200 0.79 CTSS (0.69) CTSSCTSKSCN9A
SCHEMBL30471239 0.78 SLC1A1 (0.47) CTSSCTSKSLC1A1MAOBMAOA
SCHEMBL4677869 0.78 HPGDS (0.48) SLC1A1FCER2MMP3MMP9ROCK1
SCHEMBL4683513 0.76 SLC1A1 (0.41) SLC1A1FCER2MMP3MMP9
SCHEMBL4677881 0.76 FCER2 (0.52) FCER2MMP3MMP9
SCHEMBL22204669 0.75 MEN1 (0.50) CTSSCTSKMAOBMAOASCN9A
SCHEMBL9989813 0.75 SLC1A1 (0.55) SLC1A1MAOBMAOASCN9ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633702-B1 PROTEASE INHIBITORS PROZYMEX AS (DK) 2008-07-02 EP claimed
US-20070155803-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-07-05 US claimed
EP-1633702-A1 PROTEASE INHIBITORS Prozymex A/S (DK) 2006-03-15 EP claimed
WO-2004106289-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-09 WO claimed
EP-1975153-A2 Protease inhibitors Prozymex A/S (DK) 2008-10-01 EP disclosed
EP-1633702-B1 PROTEASE INHIBITORS PROZYMEX AS (DK) 2008-07-02 EP disclosed
US-20070155803-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-07-05 US disclosed
EP-1633702-A1 PROTEASE INHIBITORS Prozymex A/S (DK) 2006-03-15 EP disclosed
WO-2004106289-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-09 WO 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-20070155803-A1 Protease inhibitors DPP7, DPP9, DPP3 CTSS 7/4885CTSK 5/4885SLC1A1 2353/4885

“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.