SCHEMBL6001818

SCHEMBL6001818

O=C(O)c1ccc(OCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.57
ALDH3A1 P30838 1/20 0.53
PLA2G4B P0C869 1/20 0.51
ALDH1A1 P00352 3/20 0.49
EPAS1 Q99814 1/20 0.48
HPGD P15428 1/20 0.44
PRSS1 P07477 4/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL6002274 0.89 ALDH3A1 (0.56) PTPN1ALDH3A1PLA2G4BALDH1A1EPAS1
SCHEMBL6000240 0.81 PTPN1 (0.67) PTPN1ALDH3A1ALDH1A1EPAS1HPGD
SCHEMBL6001963 0.77 PTPN1 (0.77) PTPN1ALDH3A1PLA2G4BALDH1A1EPAS1
SCHEMBL6001832 0.73 PTPN1 (1.00) PTPN1ALDH3A1ALDH1A1EPAS1KMT2A
SCHEMBL6000293 0.73 PTPN1 (1.00) PTPN1ALDH3A1ALDH1A1EPAS1KMT2A
SCHEMBL6001782 0.72 PTPN1 (0.67) PTPN1ALDH3A1ALDH1A1EPAS1KMT2A
SCHEMBL34474361 0.72 ALDH1A1 (0.60) PTPN1ALDH3A1ALDH1A1EPAS1HPGD
SCHEMBL29257164 0.72 PTPN1 (0.67) PTPN1ALDH3A1ALDH1A1EPAS1KMT2A
SCHEMBL7157025 0.72 TTR (0.49) PLA2G4BALDH1A1PKMKMT2ALMNA
SCHEMBL1749792 0.71 PLA2G4B (0.74) PLA2G4BALDH1A1PRSS1MAPT

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212296-B9 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2006-05-10 EP claimed
EP-1212296-B1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2005-11-09 EP claimed
US-20040138255-A1 Phosphate mimics and methods of treatment using phosphatease inhibitors SUGEN, INC. 2004-07-15 US claimed
US-6596772-B1 Relates to trifluoromethyl sulfonyl and trifluoromethyl sulfonamido compounds and the physiologically acceptable salts and the prodrugs thereof. These compounds are expected to modulate the activity of protein tyrosine enzymes which are SUGEN, INC. 2003-07-22 US claimed
JP-2003508382-A 2003-03-04 JP claimed
EP-1212296-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS Sugen, Inc. (US) 2002-06-12 EP claimed
WO-2001016097-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN, INC. (US) 2001-03-08 WO claimed
EP-1212296-B9 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2006-05-10 EP disclosed
EP-1212296-B1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2005-11-09 EP disclosed
US-20040138255-A1 Phosphate mimics and methods of treatment using phosphatease inhibitors SUGEN, INC. 2004-07-15 US disclosed
US-6596772-B1 Relates to trifluoromethyl sulfonyl and trifluoromethyl sulfonamido compounds and the physiologically acceptable salts and the prodrugs thereof. These compounds are expected to modulate the activity of protein tyrosine enzymes which are SUGEN, INC. 2003-07-22 US disclosed
EP-1212296-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS Sugen, Inc. (US) 2002-06-12 EP disclosed
WO-2001016097-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN, INC. (US) 2001-03-08 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-20040138255-A1 Phosphate mimics and methods of treatment using phosphatease inhibitors PPP4C, PTPRO, PTPRS PTPN1 23/4885ALDH3A1 3244/4885PLA2G4B 1500/4885

“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.