SCHEMBL6002200

SCHEMBL6002200

COC(=O)c1cc(Oc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc(Oc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 2/20 0.49
ALDH3A1 P30838 1/20 0.44
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2C9 P11712 2/20 0.42
PTPRZ1 P23471 1/20 0.42
USP2 O75604 1/20 0.42
NOTUM Q6P988 1/20 0.41
SCN7A Q01118 1/20 0.41
KCNH2 Q12809 1/20 0.41
SCN9A Q15858 1/20 0.41
PTPN1 P18031 1/20 0.40
TCF4 P15884 1/20 0.40
CTNNB1 P35222 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
STS P08842 1/20 0.40
GCK P35557 1/20 0.40
TSHR P16473 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
SCHEMBL6001841 0.84 MEN1 (0.54) EPAS1ALDH3A1ALDH1A1SMN1; SMN2PTPRZ1
SCHEMBL1107748 0.82 GCK (0.50) CYP2C9USP2KCNH2GCK
SCHEMBL29144762 0.82 CA1 (0.56) ALDH1A1SMN1; SMN2STSTSHRKIF11
SCHEMBL6352149 0.82 STS (0.48) ALDH1A1SMN1; SMN2CYP2C9USP2NOTUM
SCHEMBL472700 0.80 USP2 (0.49) ALDH1A1SMN1; SMN2CYP2C9USP2TCF4
SCHEMBL6430764 0.80 USP2 (0.49) ALDH1A1SMN1; SMN2CYP2C9USP2TCF4
SCHEMBL6000219 0.80 ALDH3A1 (0.66) EPAS1ALDH3A1ALDH1A1USP2PTPN1
SCHEMBL10206864 0.80 TSHR (0.44) ALDH1A1SMN1; SMN2USP2STSGCK
SCHEMBL1107717 0.79 CYP2C9 (0.49) ALDH1A1SMN1; SMN2CYP2C9TCF4CTNNB1
SCHEMBL1107725 0.79 GCK (0.46) KCNH2LMNAMEN1KMT2AGCK

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 EPAS1 1496/4885ALDH3A1 3244/4885ALDH1A1 4477/4885

“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.