SCHEMBL6467523

SCHEMBL6467523

O=C(N[C@@H](CCc1ccccc1)C(=O)c1nc2ccccc2o1)[C@H](CS(=O)(=O)Cc1ccccc1[N+](=O)[O-])NC(=O)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.41
CTSL P07711 9/20 0.41
CTSB P07858 8/20 0.41
CTSK P43235 5/20 0.41
CTSH P09668 1/20 0.40
CTSC P53634 1/20 0.40
PRSS8 Q16651 2/20 0.39

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
SCHEMBL6463799 0.91 CTSS (0.42) CTSSCTSLCTSK
SCHEMBL7045926 0.90 CTSS (0.48) CTSSCTSLCTSBCTSKCTSH
SCHEMBL7045924 0.90 CTSS (0.48) CTSSCTSLCTSBCTSKCTSH
SCHEMBL6468765 0.89 CTSS (0.43) CTSSCTSLCTSBCTSKCTSH
SCHEMBL6462684 0.89 CTSS (0.44) CTSSCTSLCTSBCTSKCTSH
SCHEMBL6064243 0.85 CTSS (0.43) CTSSCTSLCTSBCTSKCTSH
SCHEMBL6468212 0.84 CTSS (0.44) CTSSCTSLCTSBCTSKPRSS8
SCHEMBL6467519 0.84 CTSS (0.38) CTSSCTSLCTSBCTSKCTSH
SCHEMBL6464315 0.84 CTSS (0.39) CTSSCTSLCTSK
SCHEMBL6464318 0.84 CTSS (0.39) CTSSCTSLCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP claimed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US claimed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 US claimed
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 9/4885CTSL 18/4885CTSB 11/4885

“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.