SCHEMBL6607289

SCHEMBL6607289

CC(C)C(CS(=O)(=O)Cc1ccc2sccc2c1)NO.CC(C)[C@@H](CS(=O)(=O)Cc1ccc2sccc2c1)N(O)C=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.36
MMP13 P45452 2/20 0.36
CYP2A6 P11509 2/20 0.33
TRPV3 Q8NET8 1/20 0.31
MMP1 P03956 1/20 0.30
MMP3 P08254 1/20 0.30
MMP7 P09237 1/20 0.30
MMP10 P09238 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP12 P39900 1/20 0.30
MMP14 P50281 1/20 0.30
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
SCHEMBL6608461 0.92 CYP2A6 (0.38) MMP2MMP13CYP2A6MMP1MMP3
SCHEMBL6403067 0.92 CYP2A6 (0.38) MMP2MMP13CYP2A6MMP1MMP3
SCHEMBL6607301 0.88 CYP2A6 (0.41) MMP2MMP13CYP2A6TRPV3TPSAB1
SCHEMBL6607282 0.82 CYP2A6 (0.33) MMP2MMP13CYP2A6TPSAB1
SCHEMBL6608267 0.82 CYP2A6 (0.40) MMP2MMP13CYP2A6MMP14TPSAB1
SCHEMBL6608264 0.82 CYP2A6 (0.40) MMP2MMP13CYP2A6MMP14TPSAB1
SCHEMBL6400023 0.79 MMP2 (0.38) MMP2MMP13TRPV3MMP1MMP3
SCHEMBL6399305 0.78 CYP2A6 (0.36) MMP2MMP13CYP2A6TPSAB1
SCHEMBL6399773 0.77 CYP2A6 (0.43) MMP2MMP13CYP2A6TPSAB1
SCHEMBL6400628 0.77 CYP2A6 (0.43) MMP2MMP13CYP2A6TPSAB1

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
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 (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-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 MMP2 2846/4885MMP13 559/4885CYP2A6 459/4885

“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.