SCHEMBL3981900

SCHEMBL3981900

O=C(O)C(CS(=O)(=O)CC1CC1)N[C@H](c1ccccc1)C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 14/20 0.68
CTSS P25774 12/20 0.68
CTSB P07858 12/20 0.68
CTSK P43235 9/20 0.68
CTSF Q9UBX1 1/20 0.42

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
SCHEMBL3981903 1.00 CTSL (0.68) CTSLCTSSCTSBCTSKCTSF
SCHEMBL3986110 1.00 CTSL (0.68) CTSLCTSSCTSBCTSKCTSF
SCHEMBL3986961 0.91 CTSS (0.67) CTSLCTSSCTSBCTSK
SCHEMBL13584665 0.91 CTSS (0.67) CTSLCTSSCTSBCTSK
SCHEMBL3986964 0.91 CTSS (0.67) CTSLCTSSCTSBCTSK
SCHEMBL2394902 0.82 CTSS (0.58) CTSLCTSSCTSBCTSK
SCHEMBL2394907 0.82 CTSS (0.58) CTSLCTSSCTSBCTSK
SCHEMBL2817682 0.81 CTSL (1.00) CTSLCTSSCTSBCTSK
SCHEMBL2817685 0.81 CTSL (1.00) CTSLCTSSCTSBCTSK
SCHEMBL2396417 0.80 CTSS (0.55) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663958-B1 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2015-02-25 EP disclosed
US-7547701-B2 Haloalkyl containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-06-16 US disclosed
US-20050182096-A1 Haloalkyl containing compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-08-18 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-20050182096-A1 Haloalkyl containing compounds as cysteine protease inhibitors CTSF, CTSS, CTSE CTSL 9/4885CTSS 2/4885CTSB 5/4885

“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.