SCHEMBL2894644

SCHEMBL2894644

Cc1ccc(CO)c(OS(C)(=O)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
PSEN1 P49768 5/20 0.36
PSEN2 P49810 5/20 0.36
APH1B Q8WW43 5/20 0.36
NCSTN Q92542 5/20 0.36
APH1A Q96BI3 5/20 0.36
PSENEN Q9NZ42 5/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
TSHR P16473 2/20 0.35
MEP1B Q16820 1/20 0.35
PPARA Q07869 1/20 0.35
ACHE P22303 1/20 0.34
CYP1A2 P05177 1/20 0.33
ALPL P05186 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2896597 0.83 CA1 (0.47) CA1CA2CA9KDM4EKMT2A
SCHEMBL2889174 0.83 CA1 (0.47) CA1CA2CA9KDM4EKMT2A
SCHEMBL28773170 0.79 PTPN1 (0.37) CA1CA2CA9KDM4E
SCHEMBL645987 0.77 EPHX1 (0.39) CA1CA2CA9KDM4EKMT2A
SCHEMBL30422165 0.77 EPHX1 (0.39) CA1CA2CA9KDM4EKMT2A
SCHEMBL703143 0.76 PDCD1 (0.56) KDM4EKMT2APDCD1CD274TSHR
SCHEMBL6937345 0.76 CA1 (0.55) CA1CA2CA9KDM4EKMT2A
SCHEMBL27324336 0.74 PDCD1 (0.39) CA1CA2CA9KMT2APSEN1
SCHEMBL9958393 0.74 ACHE (0.65) CA1CA2CA9KMT2ATSHR
SCHEMBL9222607 0.74 LMNA (0.50) CA9KDM4ETSHRACHE

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-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 CA1 4373/4885CA2 2508/4885CA9 4166/4885

“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.