SCHEMBL6476825

SCHEMBL6476825

COCNC(=O)C(NC(=O)OCc1ccccc1)C(C)CO

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.61
CTSL P07711 6/20 0.61
CTSB P07858 4/20 0.61
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
LMNA P02545 1/20 0.56
CA2 P00918 1/20 0.52
CA5A P35218 1/20 0.52
CTSK P43235 5/20 0.48
CA1 P00915 1/20 0.48
ATM Q13315 1/20 0.47
CTSD P07339 1/20 0.47
CASP3 P42574 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL2228720 0.89 CA2 (0.63) CTSSCTSLCTSBMEN1KMT2A
SCHEMBL6483892 0.85 CTSS (0.56) CTSSCTSLCTSBMEN1KMT2A
SCHEMBL418783 0.85 TRPM8 (0.58) CTSSCTSLCTSBMEN1KMT2A
SCHEMBL26047978 0.85 TRPM8 (0.58) CTSSCTSLCTSBMEN1KMT2A
SCHEMBL6989002 0.83 CTSL (0.57) CTSSCTSLCTSBMEN1KMT2A
SCHEMBL16270356 0.82 MEN1 (0.57) CTSSCTSLCTSBMEN1KMT2A
SCHEMBL2446560 0.79 CTSL (0.80) CTSSCTSLCTSBMEN1KMT2A
SCHEMBL629855 0.79 CTSB (0.73) CTSSCTSLCTSBCTSK
SCHEMBL6476828 0.79 CTSL (0.57) CTSSCTSLCTSBMEN1KMT2A
SCHEMBL11128860 0.79 CTSL (0.75) CTSSCTSLCTSBMEN1KMT2A

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
US-20050070598-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2005-03-31 US disclosed
US-20050020588-A1 Cysteine protease inhibitors PEPTIMMUNE, INC. 2005-01-27 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-20030203900-A1 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2003-10-30 US disclosed
US-20030186962-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2003-10-02 US disclosed
EP-1345931-A2 CYSTEINE PROTEASE INHIBITORS Medivir UK Ltd (GB) 2003-09-24 EP disclosed
WO-2002088106-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2002-11-07 WO disclosed
WO-2002040462-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LIMITED (GB) 2002-05-23 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 (5 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 CTSS 2/4885CTSL 10/4885CTSB 12/4885
US-20050070598-A1 Cysteine protease inhibitors CTRL, CTSZ, CTSS CTSS 3/4885CTSL 13/4885CTSB 12/4885
US-20050020588-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV CTSS 1/4885CTSL 11/4885CTSB 6/4885
US-20040229915-A1 Cysteine protease inhibitors C1R, CTRL, CTSK CTSS 4/4885CTSL 9/4885CTSB 10/4885
US-20030203900-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV CTSS 1/4885CTSL 11/4885CTSB 6/4885

“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.