SCHEMBL4048480

SCHEMBL4048480

Cc1cccc(-c2cc(COS(C)(=O)=O)no2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NOTUM Q6P988 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 2/20 0.39
PTPN1 P18031 1/20 0.39
TP53 P04637 2/20 0.39
RAB9A P51151 2/20 0.38
HSD17B13 Q7Z5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
THRB P10828 2/20 0.38
LMNA P02545 1/20 0.38
PPARA Q07869 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 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
SCHEMBL4101694 0.94 NOTUM (0.50) MEN1KMT2ANOTUMHSP90AA1HSP90AB1
SCHEMBL1222427 0.86 NOTUM (0.54) MEN1KMT2ANOTUMHSP90AA1HSP90AB1
SCHEMBL1544031 0.86 TP53 (0.47) MEN1KMT2ATDP1MAPTTP53
SCHEMBL8231067 0.86 PTPN1 (0.40) NOTUMHSP90AA1HSP90AB1TDP1MAPT
SCHEMBL2535956 0.85 MEN1 (0.47) MEN1KMT2ANOTUMHSP90AA1HSP90AB1
SCHEMBL4049004 0.83 TP53 (0.43) HSP90AA1HSP90AB1TDP1MAPTPTPN1
SCHEMBL30948143 0.81 SCD (0.41) KMT2ANOTUMHSP90AA1HSP90AB1TDP1
SCHEMBL5733016 0.80 ALDH1A1 (0.49) TDP1MAPTTP53RAB9AALDH1A1
SCHEMBL4101696 0.79 GRM5 (0.38) MEN1KMT2ANOTUMTDP1MAPT
SCHEMBL25012602 0.78 PTPN1 (0.45) MEN1KMT2ANOTUMHSP90AA1HSP90AB1

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 10 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-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
WO-2009054794-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 WO disclosed
WO-2007130824-A2 FUSED HETEROCYLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS ASTRAZENECA AB (SE) 2007-11-15 WO 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
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 (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-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 MEN1 4260/4885KMT2A 1682/4885NOTUM 2822/4885
US-20070259860-A1 MGluR5 modulators V GRM5, GRIK5, GRM2 MEN1 4264/4885KMT2A 2629/4885NOTUM 2476/4885

“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.