SCHEMBL6000277

SCHEMBL6000277

O=C(Cc1ccccc1CC(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1)Nc1cccc(S(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ5 P48544 4/20 0.55
KCNJ3 P48549 4/20 0.55
KCNJ6 P48051 2/20 0.55
RXFP1 Q9HBX9 11/20 0.54
P2RX1 P51575 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HTR2A P28223 1/20 0.48
TSPO P30536 1/20 0.48
GPR183 P32249 1/20 0.48
APLNR P35414 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL6001755 0.95 KCNJ5 (0.51) KCNJ5KCNJ3KCNJ6RXFP1P2RX1
SCHEMBL7208710 0.89 KMT2A (0.50) KCNJ5KCNJ3KCNJ6RXFP1P2RX1
SCHEMBL6001780 0.88 LMNA (0.57) KCNJ5KCNJ3KCNJ6RXFP1P2RX1
SCHEMBL6001977 0.86 KMT2A (0.57) KCNJ5KCNJ3KCNJ6RXFP1P2RX1
SCHEMBL6001655 0.85 CA1 (0.57) KCNJ5KCNJ3CA1CA2MEN1
SCHEMBL6001954 0.83 LMNA (0.53) KCNJ5KCNJ3KCNJ6RXFP1P2RX1
SCHEMBL6000260 0.82 SELP (0.55) KCNJ5KCNJ3KCNJ6RXFP1P2RX1
SCHEMBL4243028 0.80 SMN1; SMN2 (0.64) RXFP1P2RX1HTR2ATSPOGPR183
SCHEMBL19364353 0.79 L3MBTL1 (0.58) RXFP1P2RX1L3MBTL1HTR2ATSPO
SCHEMBL19364354 0.78 LMNA (0.71) RXFP1P2RX1HTR2ATSPOGPR183

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 KCNJ5 3473/4885KCNJ3 3525/4885KCNJ6 3508/4885

“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.