SCHEMBL5744045

SCHEMBL5744045

CC(C)CC(NC(=O)c1ccc(N2CCNCC2)cc1)C(=O)NC1C(=O)COC1C

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.59
CDK4 P11802 1/20 0.43
CCNA2 P20248 1/20 0.43
CCND1 P24385 1/20 0.43
CDK2 P24941 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 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
SCHEMBL5744857 1.00 CTSK (0.59) CTSKCDK4CCNA2CCND1CDK2
SCHEMBL5745249 0.97 CTSK (0.56) CTSKCDK4CCNA2CCND1CDK2
SCHEMBL5741769 0.92 CTSK (0.54) CTSKCTSLCTSS
SCHEMBL5743571 0.92 CTSK (0.54) CTSKCTSLCTSS
SCHEMBL6523315 0.92 CTSK (0.54) CTSKCTSLCTSS
SCHEMBL5741733 0.92 CTSK (0.54) CTSKCTSLCTSS
SCHEMBL6520079 0.92 CTSK (0.54) CTSKCTSLCTSS
SCHEMBL5741740 0.91 CTSK (0.53) CTSK
SCHEMBL5741918 0.91 CTSK (0.53) CTSK
SCHEMBL5744875 0.90 CTSK (0.49) CTSKCTSLCTSBCTSS

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 4/4885CDK4 1320/4885CCNA2 867/4885
US-20050070598-A1 Cysteine protease inhibitors CTRL, CTSZ, CTSS CTSK 5/4885CDK4 740/4885CCNA2 1203/4885
US-20040229915-A1 Cysteine protease inhibitors C1R, CTRL, CTSK CTSK 3/4885CDK4 1659/4885CCNA2 1397/4885

“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.