SCHEMBL6406849

SCHEMBL6406849

CN(C)S(=O)(=O)c1ccc([C@@H](CS(=O)(=O)Cc2ccc3sccc3c2)N(C=O)ON[C@H](CS(=O)(=O)Cc2ccc3sccc3c2)c2ccc(S(=O)(=O)N(C)C)cc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
MMP2 P08253 1/20 0.31
MMP13 P45452 1/20 0.31
TPSAB1 Q15661 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
SCHEMBL6406851 0.84 MMP2 (0.34) ALDH1A1OPRM1OPRD1MMP2MMP13
SCHEMBL6397621 0.83 CHEK1 (0.35) ALDH1A1OPRM1OPRD1CA12CA2
SCHEMBL6397626 0.83 CHEK1 (0.35) ALDH1A1OPRM1OPRD1CA12CA2
SCHEMBL6607831 0.81 MMP2 (0.39) ALDH1A1OPRM1OPRD1CA12CA2
SCHEMBL6607823 0.81 MMP2 (0.39) ALDH1A1OPRM1OPRD1CA12CA2
SCHEMBL6399628 0.73 CA2 (0.36) ALDH1A1CA12CA2MMP2
SCHEMBL6607282 0.73 CYP2A6 (0.33) CA12CA2MMP2MMP13TPSAB1
SCHEMBL6399624 0.73 CA2 (0.36) ALDH1A1CA12CA2MMP2
SCHEMBL6607137 0.73 MMP2 (0.32) ALDH1A1OPRM1OPRD1CA12CA2
SCHEMBL6607132 0.73 MMP2 (0.32) ALDH1A1OPRM1OPRD1CA12CA2

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 ALDH1A1 945/4885OPRM1 1274/4885OPRD1 1405/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 ALDH1A1 356/4885OPRM1 1172/4885OPRD1 929/4885

“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.