SCHEMBL6404037

SCHEMBL6404037

CC(C)C(O)CSCc1cnc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.41
MMP1 P03956 1/20 0.41
FCER2 P06734 1/20 0.41
MMP3 P08254 1/20 0.41
CYP1A2 P05177 1/20 0.41
PDE10A Q9Y233 4/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TRPV3 Q8NET8 1/20 0.37
PDGFRB P09619 2/20 0.37
PDGFRA P16234 2/20 0.37
MGAM O43451 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ACACB O00763 1/20 0.37
MAP4K4 O95819 1/20 0.36
CSNK1G2 P78368 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
MAP4K5 Q9Y4K4 1/20 0.36
MMP2 P08253 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
SCHEMBL6985323 0.86 CYP1A2 (0.41) MMP9MMP1FCER2MMP3CYP1A2
SCHEMBL6400559 0.81 MEN1 (0.41) MMP9MMP1FCER2MMP3CYP1A2
SCHEMBL10673413 0.81 CYP1A2 (0.50) CYP1A2PDE10APDGFRBPDGFRAMGAM
SCHEMBL6405056 0.77 FAAH (0.44) PDE10APDGFRBPDGFRAALDH1A1
SCHEMBL23138232 0.75 CYP1A2 (0.52) CYP1A2PDE10APDGFRBPDGFRAMGAM
SCHEMBL6606473 0.74 CYP1A2 (0.42) MMP9MMP1FCER2MMP3CYP1A2
SCHEMBL11203618 0.73 MGAM (0.43) CYP1A2KMT2AMGAMMAP4K4CSNK1G2
SCHEMBL5935137 0.73 SMN1; SMN2 (0.42) CYP1A2PDE10AMEN1KMT2AMGAM
SCHEMBL5742658 0.73 FAAH (0.37) CYP1A2PDE10AMEN1KMT2AALDH1A1
SCHEMBL5935185 0.73 SCN9A (0.40) MMP9MMP1FCER2MMP3PDE10A

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 5 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
EP-1289980-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-03-12 EP disclosed
WO-2001090100-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-29 WO 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 MMP9 3613/4885MMP1 4070/4885FCER2 79/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 MMP9 3775/4885MMP1 3703/4885FCER2 157/4885

“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.