SCHEMBL6062950

SCHEMBL6062950

Cc1cccc(CS(=O)(=O)CCN(C(=O)N[C@@H](CCc2ccccc2)C(=O)c2nc3ccccc3o2)C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRSS8 Q16651 2/20 0.40
CTSS P25774 14/20 0.38
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
CTSK P43235 2/20 0.38
STS P08842 1/20 0.38
PTPRB P23467 2/20 0.37
PTPN11 Q06124 1/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 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
SCHEMBL6062946 1.00 PRSS8 (0.40) PRSS8CTSSCTSLCTSBCTSK
SCHEMBL6464673 0.92 PRSS8 (0.40) PRSS8CTSSCTSLCTSBCTSK
SCHEMBL6467209 0.88 PRSS8 (0.39) PRSS8CTSSCTSLCTSBCTSK
SCHEMBL6061657 0.84 PRSS8 (0.43) PRSS8CTSSCTSLCTSBCTSK
SCHEMBL6062953 0.83 CTSS (0.43) PRSS8CTSSCTSLCTSBCTSK
SCHEMBL7047995 0.82 CTSS (0.46) PRSS8CTSSCTSLCTSBCTSK
SCHEMBL7048381 0.79 PRSS8 (0.38) PRSS8CTSSCTSLCTSBCTSK
SCHEMBL7049413 0.77 CTSL (0.41) PRSS8CTSSCTSLCTSBCTSK
SCHEMBL7183810 0.76 CTSL (0.42) PRSS8CTSSCTSLCTSBCTSK
SCHEMBL7044250 0.76 PRSS8 (0.47) PRSS8CTSSCTSLCTSBCTSK

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 4 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
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 PRSS8 33/4885CTSS 9/4885CTSL 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.