SCHEMBL6000296

SCHEMBL6000296

CC(C)(COc1ccc(NS(=O)(=O)C(F)(F)F)cc1)COc1ccc(NS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.63
PTPN11 Q06124 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 2/20 0.50
CA2 P00918 2/20 0.49
CA1 P00915 1/20 0.44
POLB P06746 2/20 0.43
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KIF11 P52732 1/20 0.41
ALDH1A1 P00352 2/20 0.40
AR P10275 2/20 0.40
HPGD P15428 1/20 0.40
PPARA Q07869 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 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
SCHEMBL7529670 0.84 PTPN1 (0.67) PTPN1PTPN11SMN1; SMN2MAPK1CA2
SCHEMBL6000251 0.82 PTPN1 (0.69) PTPN1PTPN11SMN1; SMN2MAPK1CA2
SCHEMBL6001776 0.82 PTPN1 (0.69) PTPN1PTPN11SMN1; SMN2MAPK1CA2
SCHEMBL25788354 0.79 PTPN1 (0.52) PTPN1PTPN11SMN1; SMN2MAPK1CA2
SCHEMBL15116359 0.78 PTPN1 (0.73) PTPN1PTPN11SMN1; SMN2MAPK1CA2
SCHEMBL6001787 0.78 PTPN1 (1.00) PTPN1PTPN11SMN1; SMN2MAPK1CA2
SCHEMBL6000327 0.78 PTPN1 (1.00) PTPN1PTPN11SMN1; SMN2MAPK1CA2
SCHEMBL25788194 0.78 NPC1 (0.67) PTPN1PTPN11SMN1; SMN2MAPK1NPC1
SCHEMBL25788356 0.76 PTPN1 (0.59) PTPN1PTPN11SMN1; SMN2MAPK1CA2
SCHEMBL7209200 0.75 PTPN1 (0.63) PTPN1PTPN11SMN1; SMN2MAPK1CA2

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 23/4885PTPN11 70/4885SMN1; SMN2 2690/4885

“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.