Sugi Predict

Sugi Predict / Compounds / SCHEMBL6399016

SCHEMBL6399016

SCHEMBL6399016

CC(C)C(CS(=O)(=O)Cc1cnc2ccccc2c1)N(O)C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.40
▸ MMP13 P45452 2/20 0.40
▸ MMP1 P03956 2/20 0.40
▸ MMP3 P08254 2/20 0.40
▸ MMP9 P14780 2/20 0.40
▸ MMP7 P09237 1/20 0.40
▸ MMP10 P09238 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ MMP12 P39900 1/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ CYP1A2 P05177 1/20 0.38
▸ HIF1A Q16665 1/20 0.37
▸ EPAS1 Q99814 1/20 0.37
▸ PTGES O14684 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ RAB9A P51151 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6399014 1.00 MMP2 (0.40) MMP2MMP13MMP1MMP3MMP9
SCHEMBL6400023 0.92 MMP2 (0.38) MMP2MMP13MMP1MMP3MMP9
SCHEMBL6078173 0.89 HIF1A (0.39) MMP2MMP13CYP1A2HIF1AEPAS1
SCHEMBL6079545 0.89 HIF1A (0.39) MMP2MMP13CYP1A2HIF1AEPAS1
SCHEMBL6981602 0.88 CYP1A2 (0.38) MMP2MMP13CYP1A2HIF1AEPAS1
SCHEMBL6402216 0.85 MMP2 (0.39) MMP2MMP13MMP3MMP9MMP8
SCHEMBL6990090 0.85 PDE10A (0.37) MMP2MMP13MMP9MMP8CYP1A2
SCHEMBL6402218 0.85 MMP2 (0.39) MMP2MMP13MMP3MMP9MMP8
SCHEMBL6401582 0.84 CYP1A2 (0.38) CYP1A2HIF1AEPAS1PTGESALOX5
SCHEMBL6400533 0.84 CYP1A2 (0.38) CYP1A2HIF1AEPAS1PTGESALOX5

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 6 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 claimed
EP-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 — — EP claimed
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 — — US claimed
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 MMP2 2931/4885MMP13 469/4885MMP1 4070/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 MMP2 2846/4885MMP13 559/4885MMP1 3703/4885

“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.