SCHEMBL6001795

SCHEMBL6001795

O=C(Nc1ccccc1)c1cc2cc(NS(=O)(=O)C(F)(F)F)ccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.59
POLB P06746 1/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
LMNA P02545 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
RXFP1 Q9HBX9 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NHERF1 O14745 4/20 0.53
EGFR P00533 5/20 0.52
PIK3CA P42336 5/20 0.52
KDM4E B2RXH2 1/20 0.51
PYGL P06737 4/20 0.50
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL6001978 0.91 NHERF1 (0.66) TP53POLBNPC1RAB9ALMNA
SCHEMBL6001794 0.89 NHERF1 (0.67) TP53POLBNPC1RAB9ALMNA
SCHEMBL6001666 0.85 KDM4E (0.52) LMNASMN1; SMN2RXFP1MEN1KMT2A
SCHEMBL6001777 0.81 SMN1; SMN2 (0.42) TP53POLBNPC1RAB9ALMNA
SCHEMBL2735818 0.77 NPC1 (0.71) TP53POLBNPC1RAB9ALMNA
SCHEMBL31058769 0.77 NHERF1 (0.78) TP53POLBNPC1RAB9ALMNA
SCHEMBL16402194 0.76 RXFP1 (0.45) POLBNPC1RAB9ALMNASMN1; SMN2
SCHEMBL6001740 0.76 MMP13 (0.75) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL2760086 0.76 NPC1 (0.73) TP53POLBNPC1RAB9ALMNA
SCHEMBL13334417 0.75 TP53 (0.71) TP53POLBNPC1RAB9ALMNA

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 TP53 323/4885POLB 3958/4885NPC1 3788/4885

“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.