SCHEMBL3618558

SCHEMBL3618558

CC(=NS(=O)(=O)c1ccccc1)NC(CC(=O)NCC#N)S(=O)(=O)Cc1ccccc1OC(F)F

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.34
CTSK P43235 3/20 0.34
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
CTSL P07711 3/20 0.32
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
CTSB P07858 3/20 0.31

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
SCHEMBL3621118 0.85 CTSS (0.32) CTSSCTSKKMT2AALDH1A1CTSL
SCHEMBL3619860 0.85 CTSS (0.42) CTSSCTSKCTSLCTSB
SCHEMBL5605243 0.84 CTSS (0.31) CTSSCTSKKMT2ACTSLLMNA
SCHEMBL3621944 0.83 CTSS (0.33) CTSSCTSKKMT2AALDH1A1POLB
SCHEMBL3618556 0.81 CTSS (0.45) CTSSCTSKCTSLCTSB
SCHEMBL3618554 0.81 CTSS (0.45) CTSSCTSKCTSLCTSB
SCHEMBL3613204 0.79 FAAH (0.35) CTSS
SCHEMBL3621943 0.77 CTSS (0.40) CTSSCTSKCTSLCTSB
SCHEMBL6062764 0.73 KMT2A (0.44) CTSSCTSKKMT2AALDH1A1POLB
SCHEMBL3625350 0.72 KMT2A (0.32) CTSSCTSKKMT2ACTSLLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662849-B2 Amidino compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-02-16 US disclosed
US-20060264464-A1 Amidino compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2006-11-23 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-20060264464-A1 Amidino compounds as cysteine protease inhibitors CTSF, CTSB, CTSS CTSS 3/4885CTSK 4/4885KMT2A 4394/4885

“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.