SCHEMBL6403790

SCHEMBL6403790

COc1ccc([C@@H](CS(=O)(=O)Cc2cnc3ccccc3c2)N(O)C=O)cc1.COc1ccc([C@@H](CS(=O)(=O)Cc2cnc3ccccc3c2)N(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.36
CNR2 P34972 1/20 0.35
FAAH O00519 2/20 0.35
MMP2 P08253 6/20 0.34
MMP9 P14780 6/20 0.34
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33
ALPL P05186 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
MMP3 P08254 2/20 0.32
MMP13 P45452 2/20 0.32
ADAM17 P78536 2/20 0.32
MMP17 Q9ULZ9 1/20 0.32
POLB P06746 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
TRPM5 Q9NZQ8 1/20 0.30
PTGES O14684 1/20 0.30
ALOX5 P09917 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
SCHEMBL6605211 0.95 TRPM8 (0.39) TRPM8CNR2FAAHMMP9HIF1A
SCHEMBL6431116 0.95 TRPM8 (0.39) TRPM8CNR2FAAHMMP9HIF1A
SCHEMBL6605219 0.95 TRPM8 (0.39) TRPM8CNR2FAAHMMP9HIF1A
SCHEMBL6429249 0.91 TRPM8 (0.37) TRPM8CNR2FAAHMMP9HIF1A
SCHEMBL6402952 0.88 ACP1 (0.35) TRPM8CNR2MMP9HIF1AEPAS1
SCHEMBL6429732 0.88 ACP1 (0.35) TRPM8CNR2MMP9HIF1AEPAS1
SCHEMBL6402948 0.88 ACP1 (0.35) TRPM8CNR2MMP9HIF1AEPAS1
SCHEMBL6399256 0.87 TRPM8 (0.42) TRPM8CNR2FAAHMMP2MMP9
SCHEMBL6399263 0.87 TRPM8 (0.42) TRPM8CNR2FAAHMMP2MMP9
SCHEMBL6399629 0.82 ADORA2A (0.31)

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 4 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
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 TRPM8 1841/4885CNR2 482/4885FAAH 1307/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 TRPM8 2532/4885CNR2 716/4885FAAH 1212/4885

“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.