SCHEMBL6002274

SCHEMBL6002274

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

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 1/20 0.56
PTPN1 P18031 2/20 0.54
MAPT P10636 3/20 0.49
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
EPAS1 Q99814 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PLA2G4B P0C869 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
VCAM1 P19320 1/20 0.43
USP10 Q14694 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL6001818 0.89 PTPN1 (0.57) ALDH3A1PTPN1MAPTALDH1A1HPGD
SCHEMBL6000219 0.81 ALDH3A1 (0.66) ALDH3A1PTPN1MAPTALDH1A1HPGD
SCHEMBL5913915 0.75 ALDH1A1 (0.56) MAPTALDH1A1HPGDNPSR1TDP1
SCHEMBL29257164 0.75 PTPN1 (0.67) ALDH3A1PTPN1MAPTALDH1A1NPSR1
SCHEMBL17512386 0.74 THRA (0.60) MAPTALDH1A1HPGDNPSR1KMT2A
SCHEMBL6000238 0.74 ALDH3A1 (0.59) ALDH3A1PTPN1MAPTALDH1A1HPGD
SCHEMBL3274502 0.73 PTPRZ1 (0.72) MAPTALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL2057051 0.73 NPC1 (0.61) MAPTALDH1A1HPGDNPSR1RAB9A
SCHEMBL29144762 0.73 CA1 (0.56) MAPTALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL11790540 0.73 ALDH1A1 (0.56) MAPTALDH1A1HPGDNPSR1RAB9A

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 ALDH3A1 3244/4885PTPN1 23/4885MAPT 1805/4885

“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.