SCHEMBL2100501

SCHEMBL2100501

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

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 12/20 0.66
CTSS P25774 11/20 0.66
CTSB P07858 9/20 0.66
CTSK P43235 7/20 0.66

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
SCHEMBL2100502 1.00 CTSL (0.66) CTSLCTSSCTSBCTSK
SCHEMBL1200551 0.86 CTSL (0.69) CTSLCTSSCTSBCTSK
SCHEMBL1200550 0.86 CTSL (0.69) CTSLCTSSCTSBCTSK
SCHEMBL2133515 0.85 CTSL (0.83) CTSLCTSSCTSBCTSK
SCHEMBL2193347 0.84 CTSL (0.67) CTSLCTSSCTSBCTSK
SCHEMBL2193354 0.84 CTSL (0.67) CTSLCTSSCTSBCTSK
SCHEMBL2132609 0.82 CTSL (0.78) CTSLCTSSCTSBCTSK
SCHEMBL1331473 0.81 KIF11 (0.56) CTSLCTSSCTSBCTSK
SCHEMBL13725978 0.81 KIF11 (0.56) CTSLCTSSCTSBCTSK
SCHEMBL1272910 0.81 KIF11 (0.56) 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-1819667-B1 SULFONAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2012-10-17 EP disclosed
US-8163735-B2 Sulfonamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2012-04-24 US disclosed
US-20090233909-A1 Sulfonamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-09-17 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-20090233909-A1 Sulfonamide compounds as cysteine protease inhibitors CTSF, CTSS, CSTB CTSL 14/4885CTSS 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.