SCHEMBL6475281

SCHEMBL6475281

CC(COC(C)(C)C)C(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.55
CTSL P07711 5/20 0.55
CTSS P25774 5/20 0.55
CTSB P07858 3/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SYK P43405 1/20 0.50
LMNA P02545 1/20 0.50
ATM Q13315 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.48
MME P08473 1/20 0.48
ECE1 P42892 1/20 0.48

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
SCHEMBL6483896 0.85 CTSL (0.53) CTSKCTSLCTSSCTSBMEN1
SCHEMBL6483892 0.85 CTSS (0.56) CTSKCTSLCTSSCTSBMEN1
SCHEMBL6474994 0.84 CTSL (0.48) CTSKCTSLCTSSCTSBMEN1
SCHEMBL15784781 0.84 CTSK (0.59) CTSKCTSLCTSSCTSBSYK
SCHEMBL6476159 0.84 CTSK (0.54) CTSKCTSLCTSSCTSBSYK
SCHEMBL1409909 0.83 CTSK (0.61) CTSKCTSLCTSSCTSBSYK
SCHEMBL1410812 0.83 CTSK (0.61) CTSKCTSLCTSSCTSBSYK
SCHEMBL607263 0.83 CTSK (0.61) CTSKCTSLCTSSCTSBSYK
SCHEMBL24734375 0.83 CTSL (0.71) CTSKCTSLCTSSCTSBMEN1
SCHEMBL8837344 0.83 CTSL (0.71) CTSKCTSLCTSSCTSBMEN1

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 CTSK 4/4885CTSL 10/4885CTSS 2/4885
US-20050070598-A1 Cysteine protease inhibitors CTRL, CTSZ, CTSS CTSK 5/4885CTSL 13/4885CTSS 3/4885
US-20050020588-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV CTSK 4/4885CTSL 11/4885CTSS 1/4885
US-20040229915-A1 Cysteine protease inhibitors C1R, CTRL, CTSK CTSK 3/4885CTSL 9/4885CTSS 4/4885
US-20030203900-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV CTSK 4/4885CTSL 11/4885CTSS 1/4885

“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.