SCHEMBL6002242

SCHEMBL6002242

CCOC(=O)c1cc2cc(NS(=O)(=O)C(F)(F)F)ccc2n1CC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.47
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
CNR2 P34972 4/20 0.39
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
RORC P51449 1/20 0.38
P2RX3 P56373 1/20 0.38
CNR1 P21554 2/20 0.37
TP53 P04637 2/20 0.37
AR P10275 1/20 0.37
HPGD P15428 1/20 0.37
PARG Q86W56 1/20 0.36

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
SCHEMBL6002221 0.87 ECE1 (0.52) ECE1CNR2RORCCNR1
SCHEMBL6002337 0.86 ECE1 (0.41) ECE1ALDH1A1LMNACNR2MAPK1
SCHEMBL6001895 0.83 POLB (0.47) ECE1ALDH1A1LMNANOD2NOD1
SCHEMBL8329447 0.81 ECE1 (0.71) ECE1ALDH1A1RORC
SCHEMBL6002233 0.80 ECE1 (0.43) ECE1ALDH1A1CNR2MAPK1RORC
SCHEMBL6001714 0.80 MAPT (0.51) LMNANOD2NOD1MAPK1MMP2
SCHEMBL6000254 0.80 MEN1 (0.41) ECE1ALDH1A1LMNANOD2NOD1
SCHEMBL16473015 0.75 NOD2 (0.55) ALDH1A1LMNANOD2NOD1ALOX15
SCHEMBL7208606 0.72 KDM4E (0.41) ALDH1A1LMNAMAPK1HTTHSD17B10
SCHEMBL28305009 0.71 NOD2 (0.66) ALDH1A1LMNACNR2NOD2NOD1

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 ECE1 1726/4885ALDH1A1 4477/4885LMNA 4848/4885

“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.