SCHEMBL2893296

SCHEMBL2893296

O=[N+]([O-])c1c(F)c(F)cc(F)c1OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
MGMT P16455 2/20 0.45
PTGES O14684 1/20 0.44
CYP19A1 P11511 3/20 0.43
KDM1A O60341 2/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
PIN1 Q13526 2/20 0.39
TLR4 O00206 1/20 0.39

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
SCHEMBL7552230 0.82 MGMT (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2419677 0.81 MAPT (0.50) PTGESCYP19A1KDM1AMAOAMAOB
SCHEMBL25359554 0.78 KDM1A (0.49) KDM1AMAOAMAOBMAPT
SCHEMBL21908834 0.78 PTGES (0.48) PTGESCYP19A1MEN1MAPTKMT2A
SCHEMBL1337709 0.78 PTGES (0.53) MGMTPTGESCYP19A1MAOAMAOB
SCHEMBL31632401 0.77 MAOB (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21910020 0.77 CYP19A1 (0.51) MGMTPTGESCYP19A1MEN1MAPT
SCHEMBL3927678 0.77 KDM1A (0.50) MGMTPTGESKDM1AMAOAMAOB
SCHEMBL21811982 0.77 PTGES (0.47) PTGESCYP19A1KDM1AMAOAMAOB
SCHEMBL29493784 0.77 PTGES (0.47) MGMTPTGESCYP19A1KDM1AMAOA

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 GRIN2D 1837/4885GRIN3B 2465/4885GRIN1 2506/4885

“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.