SCHEMBL2889174

SCHEMBL2889174

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
KDM4E B2RXH2 3/20 0.36
KMT2A Q03164 2/20 0.36
ACHE P22303 1/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 2/20 0.33
CYP1A2 P05177 1/20 0.33
ALPL P05186 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE4B Q07343 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PPARA Q07869 1/20 0.32
MEP1B Q16820 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32

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
SCHEMBL2894644 0.83 CA1 (0.47) CA1CA2CA9KDM4EKMT2A
SCHEMBL6937345 0.76 CA1 (0.55) CA1CA2CA9KDM4EKMT2A
SCHEMBL8231646 0.76 ACHE (0.56) KDM4EKMT2AACHELMNASMN1; SMN2
SCHEMBL3633132 0.75 POLB (0.44) CA1CA2CA9KDM4EKMT2A
SCHEMBL9958393 0.74 ACHE (0.65) CA1CA2CA9KMT2AACHE
SCHEMBL31364096 0.74 CA1 (0.49) CA1CA2CA9KDM4ELMNA
SCHEMBL17355701 0.73 CA1 (0.56) CA1CA2CA9KDM4EKMT2A
SCHEMBL9957651 0.73 ACHE (0.63) CA1CA2CA9KDM4EKMT2A
SCHEMBL2293507 0.73 HTR2A (0.37) CA1CA2CA9KDM4EKMT2A

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.