Sugi Predict

Sugi Predict / Compounds / SCHEMBL2889117

SCHEMBL2889117

SCHEMBL2889117

COC(=O)CN(c1c(F)cccc1OCc1ccccc1)S(=O)(=O)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ CA1 P00915 3/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA7 P43166 2/20 0.42
▸ CA14 Q9ULX7 2/20 0.42
▸ NPC1 O15118 2/20 0.40
▸ PTPN1 P18031 3/20 0.39
▸ PTPN2 P17706 2/20 0.38
▸ PTPN6 P29350 2/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ KEAP1 Q14145 3/20 0.37
▸ NFE2L2 Q16236 3/20 0.37
▸ KDM1A O60341 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ PTPRF P10586 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ RORC P51449 2/20 0.36
▸ SYK P43405 1/20 0.36

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
SCHEMBL2893397 0.90 ALDH1A1 (0.44) ALDH1A1CA1CA12CA7CA14
SCHEMBL29626447 0.88 ALDH1A1 (0.43) ALDH1A1CA1CA12CA7CA14
SCHEMBL2888862 0.88 ALDH1A1 (0.43) ALDH1A1CA1CA12CA7CA14
SCHEMBL2892656 0.82 ALDH1A1 (0.51) ALDH1A1NPC1PTPN1PTPN2PTPN6
SCHEMBL28710605 0.81 KEAP1 (0.46) CA1CA12CA7CA14KEAP1
SCHEMBL648387 0.80 KEAP1 (0.48) ALDH1A1CA1CA12CA7CA14
SCHEMBL3920448 0.80 KEAP1 (0.44) ALDH1A1CA1CA12CA7CA14
SCHEMBL23540523 0.80 ALDH1A1 (0.43) ALDH1A1CA1CA12CA7CA14
SCHEMBL31277365 0.80 ALDH1A1 (0.43) ALDH1A1CA1CA12CA7CA14
SCHEMBL30026722 0.80 ALDH1A1 (0.43) ALDH1A1CA1CA12CA7CA14

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
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
CN-101336235-A 1-orthofluorophenyl substituted 1, 2, 5-thiazolidinedione derivatives as ptp-as inhibitors NOVARTIS AG (CH) 2008-12-31 — — CN 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 2059/4885CA1 4373/4885CA12 4730/4885

“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.