SCHEMBL6063372

SCHEMBL6063372

C=CCOC(=O)N[C@@H](CS(=O)(=O)Cc1ccccc1OC(F)F)C(=O)N(C)C#N

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 9/20 0.37
CTSL P07711 3/20 0.35
CTSB P07858 3/20 0.35
CTSS P25774 3/20 0.35
CTSK P43235 3/20 0.35
CTSF Q9UBX1 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6062766 0.89 CTSS (0.39) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6062942 0.88 CTSL (0.40) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6737516 0.88 CTSS (0.39) CTSLCTSBCTSSCTSKCTSF
SCHEMBL7547881 0.86 CTSB (0.41) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6063368 0.85 CTSS (0.43) CASP1CTSLCTSBCTSSCTSK
SCHEMBL7658551 0.83 CTSL (0.52) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6741608 0.82 CTSL (0.46) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6062073 0.82 CTSB (0.40) CTSLCTSBCTSSCTSKCTSF
SCHEMBL1558021 0.82 CTSL (0.46) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6061635 0.81 NOS2 (0.38) CTSLCTSBCTSSCTSKCTSF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors AXYS PHARMACEUTICALS, INC. 2004-01-22 US claimed
EP-1212302-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-06-12 EP claimed
WO-2001019796-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-03-22 WO claimed
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
US-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors AXYS PHARMACEUTICALS, INC. 2004-01-22 US disclosed
US-6492362-B1 Compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS, INC. 2002-12-10 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-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors CTSS, CTSB, CTSE CASP1 205/4885CTSL 10/4885CTSB 2/4885

“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.