SCHEMBL6406882

SCHEMBL6406882

N#CCN[C@@H](COCc1ccccc1)CS(=O)(=O)Cc1ccc2sccc2c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.34
ADRB3 P13945 1/20 0.34
CTSB P07858 4/20 0.33
CTSL P07711 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
CYP2A6 P11509 1/20 0.32
CA2 P00918 3/20 0.32
CA12 O43570 2/20 0.32
HPGD P15428 1/20 0.32
CASR P41180 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CTNNB1 P35222 1/20 0.30
WNT3A P56704 1/20 0.30
GHSR Q92847 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
SCHEMBL6406886 1.00 CTSS (0.34) CTSSADRB3CTSBCTSLMRGPRX4
SCHEMBL6406008 0.80 PPARA (0.48) CTSSCTSBCA12HPGDALDH1A1
SCHEMBL6406011 0.80 PPARA (0.48) CTSSCTSBCA12HPGDALDH1A1
Hydrochloric Acid SCHEMBL6404626 0.79 CYP2A6 (0.39) MRGPRX4CYP2A6CA2CA12HPGD
Hydrochloric Acid SCHEMBL6404633 0.79 CYP2A6 (0.39) MRGPRX4CYP2A6CA2CA12HPGD
SCHEMBL6607714 0.77 MRGPRX4 (0.32) MRGPRX4TDP1
SCHEMBL6607717 0.77 MRGPRX4 (0.33) MRGPRX4TDP1CTNNB1WNT3A
SCHEMBL6402200 0.75 MRGPRX4 (0.35) ADRB3MRGPRX4CYP2A6CA2CA12
SCHEMBL6605234 0.69 CYP2A6 (0.46) ADRB3MRGPRX4CYP2A6CA2CA12
SCHEMBL6605239 0.69 CYP2A6 (0.46) ADRB3MRGPRX4CYP2A6CA2CA12

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
US-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides SMITHKLINE BEECHAM PLC 2005-12-29 US disclosed
EP-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP disclosed
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 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 (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-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides CD22, CD2, NEU3 CTSS 624/4885ADRB3 603/4885CTSB 1675/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 CTSS 807/4885ADRB3 783/4885CTSB 1821/4885

“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.