SCHEMBL6002041

SCHEMBL6002041

CCCCC[N]S(=O)(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.42
FAAH O00519 11/20 0.37
CES1 P23141 9/20 0.35
CES2 O00748 3/20 0.35
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL7023191 0.84 F2 (0.36) EPHX1
SCHEMBL7020097 0.74 F2 (0.39) EPHX1
SCHEMBL7689565 0.72 FAAH (0.37) FAAHMEN1KMT2A
SCHEMBL1678827 0.72 FAAH (0.37) FAAHMEN1KMT2A
SCHEMBL8585718 0.71 F2 (0.44) EPHX1CES1
SCHEMBL1679668 0.70 FAAH (0.41) FAAHMEN1KMT2A
SCHEMBL7691832 0.70 FAAH (0.41) FAAHMEN1KMT2A
SCHEMBL1268408 0.70 CA2 (0.43) FAAHMEN1KMT2A
SCHEMBL8428176 0.70 TP53 (0.40) EPHX1FAAHCES1CES2MEN1
Trifluoromethanesulfonic Acid SCHEMBL3129636 0.69 EPHX1 (0.56) EPHX1FAAHCES1CES2MEN1

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 6 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 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 EPHX1 2565/4885FAAH 4379/4885CES1 1242/4885

“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.