SCHEMBL6063230

SCHEMBL6063230

O=C(NC1(C(=O)c2nc3ccccc3o2)CCC1)[C@H](CS(=O)(=O)Cc1ccccc1)NC(=O)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.46
CTSB P07858 4/20 0.37
CTSL P07711 4/20 0.37
TACR2 P21452 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CTSK P43235 2/20 0.36
CTSH P09668 1/20 0.36
CTSC P53634 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6063226 1.00 CTSS (0.46) CTSSCTSBCTSLTACR2KDM4E
SCHEMBL6063234 0.85 KDM4E (0.37) CTSSTACR2KDM4EMEN1ALDH1A1
SCHEMBL7042180 0.82 MAPT (0.40) CTSSCTSBCTSLCTSKMEN1
SCHEMBL7043174 0.82 CTSS (0.51) CTSS
SCHEMBL6462497 0.81 CTSS (0.50) CTSSCTSBCTSLKDM4ECTSK
SCHEMBL7044326 0.81 CTSS (0.50) CTSSCTSBCTSLKDM4ECTSK
SCHEMBL7045926 0.81 CTSS (0.48) CTSSCTSBCTSLCTSKCTSH
SCHEMBL7045924 0.81 CTSS (0.48) CTSSCTSBCTSLCTSKCTSH
SCHEMBL6467363 0.81 CTSS (0.49) CTSSCTSBCTSLCTSKCTSH
SCHEMBL6463186 0.80 CTSS (0.50) CTSSCTSBCTSLCTSKCTSH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1694357-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2006-08-30 EP disclosed
WO-2005058348-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2005-06-30 WO disclosed
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 US 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 (1 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ CTSS 9/4885CTSB 11/4885CTSL 18/4885

“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.