SCHEMBL1273076

SCHEMBL1273076

N#CC1(NC(=O)[C@H](CS(=O)(=O)c2ccccc2)N[C@@H](c2ccc(F)cc2)C(F)(F)F)CC1

nearest known ligand 0.91

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 19/20 0.91
CTSB P07858 17/20 0.91
CTSL P07711 16/20 0.91
CTSK P43235 14/20 0.91

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
SCHEMBL1273075 1.00 CTSS (0.91) CTSSCTSBCTSLCTSK
SCHEMBL7807773 0.95 CTSS (1.00) CTSSCTSBCTSLCTSK
SCHEMBL1271644 0.91 CTSS (0.75) CTSSCTSBCTSLCTSK
SCHEMBL1271642 0.91 CTSS (0.75) CTSSCTSBCTSLCTSK
SCHEMBL3420426 0.90 CTSL (0.86) CTSSCTSBCTSLCTSK
SCHEMBL3420440 0.89 CTSS (0.82) CTSSCTSBCTSLCTSK
SCHEMBL3422345 0.88 CTSL (0.83) CTSSCTSBCTSLCTSK
SCHEMBL3476052 0.88 CTSL (0.83) CTSSCTSBCTSLCTSK
SCHEMBL2100451 0.87 CTSS (0.73) CTSSCTSBCTSLCTSK
SCHEMBL2816947 0.87 CTSS (0.93) CTSSCTSBCTSLCTSK

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 1/4885CTSB 3/4885CTSL 10/4885
US-20080287446-A1 Sulfonyl Containing Compounds as Cysteine Protease Inhibitors CTSS, CTSF, CTSB CTSS 1/4885CTSB 3/4885CTSL 10/4885

“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.