SCHEMBL2893397

SCHEMBL2893397

COC(=O)CN(c1c(F)cc(F)cc1OCc1ccccc1)S(=O)(=O)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CA12 O43570 3/20 0.41
CA14 Q9ULX7 3/20 0.41
CA1 P00915 2/20 0.41
CA7 P43166 2/20 0.41
PTPN1 P18031 3/20 0.40
PTPN2 P17706 2/20 0.40
PTPN6 P29350 2/20 0.40
KEAP1 Q14145 5/20 0.38
NFE2L2 Q16236 5/20 0.38
MAPK1 P28482 1/20 0.38
PTPRF P10586 1/20 0.38
PTPN11 Q06124 1/20 0.38
KDM1A O60341 1/20 0.37
RORC P51449 2/20 0.36
CYP19A1 P11511 1/20 0.36
CA2 P00918 1/20 0.35
CYP2C9 P11712 1/20 0.35
PTGER1 P34995 1/20 0.35
SYK P43405 1/20 0.35

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
SCHEMBL29626447 0.91 ALDH1A1 (0.43) ALDH1A1CA12CA14CA1CA7
SCHEMBL2888862 0.91 ALDH1A1 (0.43) ALDH1A1CA12CA14CA1CA7
SCHEMBL2889117 0.90 ALDH1A1 (0.45) ALDH1A1CA12CA14CA1CA7
SCHEMBL28710605 0.84 KEAP1 (0.46) CA12CA14CA1CA7KEAP1
SCHEMBL23540005 0.83 ALDH1A1 (0.43) ALDH1A1CA12CA14CA1CA7
SCHEMBL31277365 0.83 ALDH1A1 (0.43) ALDH1A1CA12CA14CA1CA7
SCHEMBL30026722 0.83 ALDH1A1 (0.43) ALDH1A1CA12CA14CA1CA7
SCHEMBL23540523 0.83 ALDH1A1 (0.43) ALDH1A1CA12CA14CA1CA7
SCHEMBL30027118 0.83 ALDH1A1 (0.43) ALDH1A1CA12CA14CA1CA7
SCHEMBL28915594 0.81 ALDH1A1 (0.38) ALDH1A1CA12CA14CA1CA7

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 ALDH1A1 2059/4885CA12 4730/4885CA14 4679/4885

“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.