SCHEMBL4049004

SCHEMBL4049004

CS(=O)(=O)OCc1cc(-c2cccc(C#N)c2)on1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
USP30 Q70CQ3 2/20 0.41
SCD O00767 2/20 0.41
SCD5 Q86SK9 1/20 0.41
NR3C2 P08235 1/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
FAAH O00519 1/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
PTPN1 P18031 1/20 0.39
HSD17B13 Q7Z5P4 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
CTSS P25774 1/20 0.37

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
SCHEMBL4048480 0.83 MEN1 (0.39) TP53CYP2C9CYP2C19MAPTPOLB
SCHEMBL1222427 0.82 NOTUM (0.54) CYP2C9CYP2C19MAPTPOLBTDP1
SCHEMBL8231067 0.81 PTPN1 (0.40) CYP2C9CYP2C19MAPTTDP1PTPN1
SCHEMBL1544031 0.81 TP53 (0.47) TP53CYP2C9CYP2C19MAPTPOLB
SCHEMBL1544712 0.78 CHRNB2 (0.48) NR3C2MAPTTDP1CHRNB2CHRNA5
SCHEMBL4101694 0.78 NOTUM (0.50) TP53CYP2C9CYP2C19MAPTPOLB
SCHEMBL4220273 0.77 NOTUM (0.62) USP30SCDSCD5CYP3A4CYP2C9
SCHEMBL30948143 0.77 SCD (0.41) TP53SCDSCD5CYP3A4CYP2C9
SCHEMBL5119793 0.76 TP53 (0.43) TP53USP30SCDSCD5NR3C2
SCHEMBL5733016 0.76 ALDH1A1 (0.49) TP53CYP2C9CYP2C19MAPTPOLB

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
EP-2027129-A2 FUSED HETEROCYLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS AstraZeneca AB (SE) 2009-02-25 EP claimed
WO-2007130824-A2 FUSED HETEROCYLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS ASTRAZENECA AB (SE) 2007-11-15 WO claimed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US claimed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 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-20070259860-A1 MGluR5 modulators V GRM5, GRIK5, GRM2 TP53 4883/4885USP30 3469/4885SCD 1534/4885

“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.