SCHEMBL6468406

SCHEMBL6468406

Cc1cccc(CS(=O)(=O)C[C@H](NC(=O)c2ccncc2)C(=O)N[C@@H](CCc2ccccc2)C(=O)c2nc3ccccc3o2)n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 11/20 0.42
CTSS P25774 9/20 0.42
CTSB P07858 5/20 0.41
CTSK P43235 2/20 0.41
GART P22102 1/20 0.38
PRSS8 Q16651 1/20 0.36
CASP3 P42574 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL7043375 0.90 CTSS (0.40) CTSLCTSSCTSBCTSKGART
SCHEMBL6062022 0.85 CTSL (0.42) CTSLCTSSCTSBCTSKGART
SCHEMBL6062778 0.84 CTSL (0.41) CTSLCTSSCTSBCTSKGART
SCHEMBL7179322 0.84 CTSS (0.52) CTSLCTSSCTSBCTSKPRSS8
SCHEMBL6061819 0.83 CTSS (0.61) CTSLCTSSCTSBCTSKPRSS8
SCHEMBL6466567 0.82 CTSS (0.47) CTSLCTSSCTSBCTSKCASP3
SCHEMBL6464434 0.82 CTSS (0.43) CTSSCTSBGARTCASP3CYP3A4
SCHEMBL7043320 0.80 CTSS (0.43) CTSLCTSSCTSBGARTCASP3
SCHEMBL6465503 0.79 LONP1 (0.48) CTSLCTSSCTSBCTSK
SCHEMBL6062013 0.77 LONP1 (0.46) CTSLCTSSCTSBCTSK

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 CTSL 18/4885CTSS 9/4885CTSB 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.