SCHEMBL6399629

SCHEMBL6399629

COc1ccc([C@@H](CS(=O)(=O)Cc2cnc3ccsc3c2)N(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.31
DYRK1A Q13627 1/20 0.30
NR3C1 P04150 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
SCHEMBL6403984 0.91 MMP13 (0.30)
SCHEMBL6604993 0.88 MEN1 (0.31) DYRK1A
SCHEMBL6431116 0.86 TRPM8 (0.39)
SCHEMBL6605211 0.86 TRPM8 (0.39)
SCHEMBL6605219 0.86 TRPM8 (0.39)
SCHEMBL6608416 0.85 PPARG (0.34) ADORA2ADYRK1ANR3C1
SCHEMBL6429249 0.83 TRPM8 (0.37)
SCHEMBL6403790 0.82 TRPM8 (0.36)
SCHEMBL6401244 0.80
SCHEMBL6399472 0.79 MASP2 (0.33)

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 ADORA2A 3266/4885DYRK1A 3334/4885NR3C1 1018/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 ADORA2A 3146/4885DYRK1A 3830/4885NR3C1 679/4885

“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.