SCHEMBL6404912

SCHEMBL6404912

CC(C)/C=C(\CC(C)C(O)CS(=O)(=O)Cc1cnc2ccccc2c1)S(=O)(=O)Cc1cnc2ccccc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
MMP9 P14780 2/20 0.33
MMP2 P08253 1/20 0.33
MMP8 P22894 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CFTR P13569 1/20 0.32
RAB9A P51151 1/20 0.32
MMP1 P03956 1/20 0.32
FCER2 P06734 1/20 0.32
MMP3 P08254 1/20 0.32
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
PDE10A Q9Y233 3/20 0.32
ACACB O00763 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL6606473 0.81 CYP1A2 (0.42) CYP1A2MMP9MMP2MMP8KMT2A
SCHEMBL6986645 0.80 CYP1A2 (0.43) CYP1A2MMP9MMP2MMP8KMT2A
SCHEMBL6404920 0.76 KMT2A (0.37) CYP1A2MMP9MMP2MMP8KMT2A
SCHEMBL6987795 0.74 CYP1A2 (0.43) CYP1A2MMP9MMP2MMP8KMT2A
SCHEMBL6981602 0.74 CYP1A2 (0.38) CYP1A2MMP2KMT2AHIF1AEPAS1
SCHEMBL6606289 0.71 CYP1A2 (0.42) CYP1A2MMP9MMP2MMP8KMT2A
SCHEMBL6399016 0.71 MMP2 (0.40) CYP1A2MMP9MMP2MMP8KMT2A
SCHEMBL6399014 0.71 MMP2 (0.40) CYP1A2MMP9MMP2MMP8KMT2A
Hydrochloric Acid SCHEMBL6666880 0.70 CYP1A2 (0.41) CYP1A2KMT2AHIF1AEPAS1KDM4E
SCHEMBL6608479 0.70 MMP2 (0.45) CYP1A2MMP9MMP2MMP8KMT2A

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
US-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides SMITHKLINE BEECHAM PLC 2005-12-29 US 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 CYP1A2 1075/4885MMP9 3613/4885MMP2 2931/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 CYP1A2 909/4885MMP9 3775/4885MMP2 2846/4885

“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.