SCHEMBL6789184

SCHEMBL6789184

O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1SSc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.57
LMNA P02545 4/20 0.56
MAPT P10636 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
NPSR1 Q6W5P4 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
S1PR4 O95977 1/20 0.56
XBP1 P17861 1/20 0.56
S1PR1 P21453 1/20 0.56
MC4R P32245 1/20 0.56
HTT P42858 1/20 0.56
HSP90AA1 P07900 1/20 0.56
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PTPN1 P18031 1/20 0.55
ALDH1A1 P00352 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL9186437 0.79 PTPN1 (0.56) MIFLMNAMAPTMEN1KMT2A
SCHEMBL5786092 0.79 ALDH1A1 (0.64) MIFLMNAMAPTMEN1KMT2A
SCHEMBL1368288 0.79 VCAM1 (0.63) LMNAMAPTPTPN1ALDH1A1L3MBTL1
SCHEMBL3017222 0.79 CA12 (0.65) MIFLMNAMAPTMEN1KMT2A
SCHEMBL6522348 0.78 CA2 (0.50) MAPTKMT2AHPGDALDH1A1MAPK1
SCHEMBL5026220 0.78 KMT2A (0.53) LMNAMAPTMEN1KMT2AHTT
SCHEMBL6515861 0.78 ALDH1A1 (0.55) MAPTKMT2ATDP1GAAHPGD
SCHEMBL29257164 0.75 PTPN1 (0.67) LMNAMAPTMEN1KMT2ANPSR1
SCHEMBL34474361 0.75 ALDH1A1 (0.60) MIFLMNAMAPTMEN1KMT2A
SCHEMBL8534010 0.75 MAPT (0.62) LMNAMAPTMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-6388025-B1 Method for increasing the molecular weight of polyester resins MINISTERO DELL'UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 2002-05-14 US claimed
WO-2001016097-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN, INC. (US) 2001-03-08 WO claimed
US-20040138255-A1 Phosphate mimics and methods of treatment using phosphatease inhibitors SUGEN, INC. 2004-07-15 US disclosed
EP-1058703-B1 A METHOD FOR INCREASING THE MOLECULAR WEIGHT OF POLYESTER RESINS MINI RICERCA SCIENT TECNOLOG (IT) 2003-10-15 EP 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
US-6388025-B1 Method for increasing the molecular weight of polyester resins MINISTERO DELL'UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 2002-05-14 US 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 MIF 736/4885LMNA 4848/4885MAPT 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.