SCHEMBL6001655

SCHEMBL6001655

O=C(Cc1ccccc1CC(=O)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.57
CA2 P00918 4/20 0.57
CA12 O43570 3/20 0.57
CA9 Q16790 3/20 0.57
KIF11 P52732 1/20 0.55
KCNJ5 P48544 2/20 0.53
KCNJ3 P48549 2/20 0.53
PRMT1 Q99873 1/20 0.52
NAMPT P43490 1/20 0.51
CA5A P35218 2/20 0.50
CA7 P43166 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
GAA P10253 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 2/20 0.47
CA4 P22748 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
SCHEMBL6000350 0.85 CA1 (0.61) CA1CA2CA12CA9KIF11
SCHEMBL6000277 0.85 KCNJ5 (0.55) CA1CA2KCNJ5KCNJ3KMT2A
SCHEMBL6001084 0.83 PRMT1 (0.57) CA1CA2CA12CA9KIF11
SCHEMBL6001755 0.80 KCNJ5 (0.51) CA1CA2KCNJ5KCNJ3KMT2A
SCHEMBL7930552 0.80 KIF11 (0.59) CA1CA2CA12CA9KIF11
SCHEMBL9083215 0.77 KIF11 (0.68) CA1CA2CA12CA9KIF11
SCHEMBL8023001 0.77 CA1 (0.68) CA1CA2CA12CA9KIF11
SCHEMBL3711978 0.76 KIF11 (0.66) CA1CA2CA12CA9KIF11
SCHEMBL7208710 0.75 KMT2A (0.50) KCNJ5KCNJ3PRMT1KMT2AMEN1
SCHEMBL15533302 0.74 KIF11 (0.64) CA1CA2CA12CA9KIF11

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 CA1 833/4885CA2 283/4885CA12 2513/4885

“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.