SCHEMBL5744875

SCHEMBL5744875

CC(C)CC(NC(=O)c1cccc(N2CCNCC2)c1)C(=O)NC1C(=O)COC1C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.49
KAT6A Q92794 1/20 0.44
CTSL P07711 4/20 0.42
CTSS P25774 4/20 0.42
CTSB P07858 2/20 0.41
CASP1 P29466 1/20 0.41
CASP3 P42574 1/20 0.41

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
SCHEMBL5743043 0.93 CTSK (0.49) CTSKCTSLCTSSCASP1CASP3
SCHEMBL5741577 0.92 CTSK (0.48) CTSKCTSLCTSSCASP1CASP3
SCHEMBL5742583 0.91 CTSK (0.49) CTSKCTSLCTSSCTSBCASP1
SCHEMBL5743932 0.91 CTSK (0.53) CTSKCTSLCTSS
SCHEMBL5744045 0.90 CTSK (0.59) CTSKCTSLCTSSCTSB
SCHEMBL5744857 0.90 CTSK (0.59) CTSKCTSLCTSSCTSB
SCHEMBL6512679 0.89 CTSK (0.53) CTSK
SCHEMBL5745249 0.88 CTSK (0.56) CTSKCTSLCTSSCTSB
SCHEMBL6517727 0.86 CTSK (0.51) CTSK
SCHEMBL6513944 0.85 CTSK (0.50) CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358183-B1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2006-04-12 EP disclosed
US-20050070598-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2005-03-31 US disclosed
US-20040229915-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2004-11-18 US disclosed
EP-1358183-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2003-11-05 EP disclosed
US-20030186962-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2003-10-02 US disclosed
WO-2002088106-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2002-11-07 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 (3 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-20030186962-A1 Cysteine protease inhibitors C1R, CTSS, CTSZ CTSK 4/4885KAT6A 3503/4885CTSL 10/4885
US-20050070598-A1 Cysteine protease inhibitors CTRL, CTSZ, CTSS CTSK 5/4885KAT6A 2854/4885CTSL 13/4885
US-20040229915-A1 Cysteine protease inhibitors C1R, CTRL, CTSK CTSK 3/4885KAT6A 3339/4885CTSL 9/4885

“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.