SCHEMBL3621118

SCHEMBL3621118

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

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.32
CTSK P43235 1/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
CTSL P07711 1/20 0.31
HPGD P15428 4/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
LIPG Q9Y5X9 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL5605243 0.88 CTSS (0.31) CTSSCTSKKMT2AMAPTCTSL
SCHEMBL3618558 0.85 CTSS (0.34) CTSSCTSKKMT2ACTSLHPGD
SCHEMBL3615924 0.84 CTSS (0.40) CTSSCTSKCTSL
SCHEMBL3625350 0.84 KMT2A (0.32) CTSSCTSKKMT2AMAPTCTSL
SCHEMBL3621114 0.82 CTSS (0.40) CTSSCTSKCTSL
SCHEMBL8299221 0.82 CTSS (0.40) CTSSCTSKCTSL
SCHEMBL3619170 0.78 NPC1 (0.32)
SCHEMBL3622457 0.78 FAAH (0.35) CTSS
SCHEMBL3625348 0.78 CTSS (0.37) CTSSCTSKCTSL
SCHEMBL5605240 0.73 CTSS (0.39) CTSSCTSKCTSL

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 4 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
EP-1761485-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering AG (DE) 2007-03-14 EP disclosed
US-20060264464-A1 Amidino compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2006-11-23 US disclosed
WO-2004108661-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS (US) 2004-12-16 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 (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.