SCHEMBL6001802

SCHEMBL6001802

Cc1cc2cc(NS(=O)(=O)C(F)(F)F)ccc2n1CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR6 P50406 3/20 0.42
SERPINE1 P05121 1/20 0.41
BRPF1 P55201 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
ECE1 P42892 1/20 0.40
PTGDR2 Q9Y5Y4 5/20 0.39
PTPN11 Q06124 1/20 0.39
EPHX2 P34913 1/20 0.38
SMARCA2 P51531 1/20 0.38
AKR1B1 P15121 1/20 0.37
PTPN1 P18031 1/20 0.37

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
SCHEMBL6001713 0.87 SERPINE1 (0.49) MAPK1SMN1; SMN2SERPINE1ECE1
SCHEMBL6001790 0.85 CACNA1B (0.44) MAPK1SMN1; SMN2HTR6SERPINE1BRPF1
SCHEMBL1251071 0.85 BRPF1 (0.46) SMN1; SMN2HTR6SERPINE1BRPF1THRA
SCHEMBL6001764 0.85 ECE1 (0.43) MAPK1SMN1; SMN2HTR6SERPINE1THRA
SCHEMBL6001895 0.84 POLB (0.47) MAPK1SMN1; SMN2SERPINE1ECE1
SCHEMBL6002268 0.83 MAPK1 (0.38) MAPK1SMN1; SMN2SERPINE1ECE1PTGDR2
SCHEMBL6002334 0.82 SMN1; SMN2 (0.39) MAPK1SMN1; SMN2SERPINE1BRPF1ECE1
SCHEMBL6000250 0.82 PPARA (0.44) SMN1; SMN2THRBEPHX2
SCHEMBL6001729 0.82 NPC1 (0.42) SMN1; SMN2ECE1
SCHEMBL6002236 0.77 SERPINE1 (0.43) MAPK1SMN1; SMN2SERPINE1ECE1PTPN11

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
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
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 MAPK1 1017/4885SMN1; SMN2 2690/4885HTR6 4271/4885

“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.