SCHEMBL1273463

SCHEMBL1273463

CS(=O)(=O)c1cccc(CS(=O)(=O)C[C@H](N[C@H](c2ccc(F)cc2F)C(F)(F)F)C(=O)NC2(C#N)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.64
CTSL P07711 16/20 0.64
CTSB P07858 17/20 0.63
CTSK P43235 13/20 0.60
CTSV O60911 1/20 0.49
CTSF Q9UBX1 1/20 0.49

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
SCHEMBL1271686 1.00 CTSS (0.64) CTSSCTSLCTSBCTSKCTSV
SCHEMBL1271685 1.00 CTSS (0.64) CTSSCTSLCTSBCTSKCTSV
SCHEMBL1272518 0.92 CTSS (0.68) CTSSCTSLCTSBCTSKCTSV
SCHEMBL1272515 0.92 CTSS (0.68) CTSSCTSLCTSBCTSKCTSV
SCHEMBL1272828 0.92 CTSS (0.68) CTSSCTSLCTSBCTSKCTSV
SCHEMBL1273614 0.91 CTSS (0.75) CTSSCTSLCTSBCTSKCTSV
SCHEMBL1273612 0.91 CTSS (0.75) CTSSCTSLCTSBCTSKCTSV
SCHEMBL1272897 0.86 CTSS (0.65) CTSSCTSLCTSBCTSKCTSV
SCHEMBL1272899 0.86 CTSS (0.65) CTSSCTSLCTSBCTSKCTSV
SCHEMBL1273624 0.86 CTSS (0.65) CTSSCTSLCTSBCTSKCTSV

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-1866277-B1 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2014-06-25 EP disclosed
US-20110281879-A1 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2011-11-17 US disclosed
US-7893093-B2 Sulfonyl containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2011-02-22 US disclosed
US-20080287446-A1 Sulfonyl Containing Compounds as Cysteine Protease Inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2008-11-20 US disclosed
EP-1866277-A2 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CELERA GENOMICS (US) 2007-12-19 EP disclosed
WO-2006102535-A2 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CELERA GENOMICS (US) 2006-09-28 WO 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 (2 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-20110281879-A1 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSS, CTSF, CTSB CTSS 1/4885CTSL 10/4885CTSB 3/4885
US-20080287446-A1 Sulfonyl Containing Compounds as Cysteine Protease Inhibitors CTSS, CTSF, CTSB CTSS 1/4885CTSL 10/4885CTSB 3/4885

“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.