SCHEMBL5743944

SCHEMBL5743944

CC(C)CC(NC(=O)c1cccc(N2CCN(C)CC2)c1)C(=O)N(C)C1COCC1=O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.47
PLOD2 O00469 1/20 0.39
PLOD3 O60568 1/20 0.39
PLOD1 Q02809 1/20 0.39
CTSB P07858 1/20 0.39
HTR2C P28335 1/20 0.39

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
SCHEMBL5743048 0.94 CTSK (0.48) CTSKCTSB
SCHEMBL5741588 0.93 CTSK (0.47) CTSKCTSB
SCHEMBL5742597 0.92 CTSK (0.47) CTSKPLOD2PLOD3PLOD1CTSB
SCHEMBL5744879 0.91 CTSK (0.45) CTSKCTSB
SCHEMBL5741768 0.90 CTSK (0.59) CTSK
SCHEMBL5741773 0.83 CTSK (0.50) CTSKCTSB
SCHEMBL5741741 0.83 CTSK (0.49) CTSKCTSB
SCHEMBL5741927 0.83 CTSK (0.49) CTSKCTSB
SCHEMBL6518486 0.81 CTSK (0.54) CTSK
SCHEMBL5743416 0.81 PRMT5 (0.43) 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 4/4885PLOD2 2943/4885PLOD3 1466/4885
US-20050070598-A1 Cysteine protease inhibitors CTRL, CTSZ, CTSS CTSK 5/4885PLOD2 4426/4885PLOD3 3057/4885
US-20040229915-A1 Cysteine protease inhibitors C1R, CTRL, CTSK CTSK 3/4885PLOD2 3488/4885PLOD3 1979/4885

“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.