SCHEMBL2897153

SCHEMBL2897153

COC(=O)c1cc(C)ccc1OS(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 1/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
NR4A2 P43354 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 2/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40

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
SCHEMBL1505444 0.83 HSP90AA1 (0.57) CYP46A1NR4A2L3MBTL1HPGDHSP90AA1
SCHEMBL14872909 0.83 CA1 (0.44) CA1CA2CA9KDM4EALDH1A1
SCHEMBL10937630 0.83 GAA (0.53) CA1CA2CA9L3MBTL1HPGD
SCHEMBL8605445 0.83 ABL1 (0.51) NR4A2L3MBTL1MAPTHTTLMNA
SCHEMBL5937228 0.82 CYP46A1 (0.43) CYP46A1CA1CA2CA9NR4A2
SCHEMBL4851187 0.81 ALDH1A1 (0.48) L3MBTL1HPGDHSP90AA1MAPTTDP1
SCHEMBL29208993 0.79 MAPT (0.47) HPGDMAPTHTTNPSR1KDM4E
SCHEMBL14872910 0.79 CA1 (0.44) CA1CA2CA9L3MBTL1HTT
SCHEMBL648371 0.78 L3MBTL1 (0.69) CA1CA2CA9L3MBTL1MAPT
SCHEMBL23045198 0.78 CYP46A1 (0.50) CYP46A1CA1CA2CA9NR4A2

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
WO-2013054351-A1 HETEROCYCLIC COMPOUNDS CADILA HEALTHCARE LIMITED (IN) 2013-04-18 WO disclosed
US-8252820-B2 1-orthofluorophenyl substituted 1,2,5-thiazolidinedione derivatives as PTP-as inhibitors NOVARTIS AG (CH) 2012-08-28 US disclosed
US-20100035942-A1 1-orthofluorophenyl substituted 1,2,5-thiazolidinedione derivatives as ptp-as inhibitors NOVARTIS AG (CH) 2010-02-11 US disclosed
EP-1963293-A1 1-ORTHOFLUOROPHENYL SUBSTITUTED 1, 2 , 5-THIAZOLIDINEDIONE DERIVATIVES AS PTP-AS INHIBITORS Novartis AG (CH) 2008-09-03 EP disclosed
WO-2007067612-A1 1-ORTHOFLUOROPHENYL SUBSTITUTED 1, 2, 5-THIAZOLIDINEDIONE DERIVATIVES AS PTP-AS INHIBITORS NOVARTIS AG (CH) 2007-06-14 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 (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-20100035942-A1 1-orthofluorophenyl substituted 1,2,5-thiazolidinedione derivatives as ptp-as inhibitors PTPRS, PTPRF, PTPRO CYP46A1 665/4885CA1 4373/4885CA2 2508/4885

“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.