SCHEMBL6002237

SCHEMBL6002237

CCOC(=O)c1cc2cc(N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)ccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58
HPGD P15428 3/20 0.58
RAB9A P51151 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HSD17B10 Q99714 1/20 0.58
MMP13 P45452 8/20 0.56
MMP2 P08253 6/20 0.56
NPC1 O15118 2/20 0.55
LMNA P02545 2/20 0.55
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HRH3 Q9Y5N1 1/20 0.55
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
ATM Q13315 1/20 0.51
MMP14 P50281 4/20 0.51

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
SCHEMBL6517751 0.82 KDM4E (0.68) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL1474801 0.80 KDM4E (0.70) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL2391276 0.79 KDM4E (0.67) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL6176521 0.79 KDM4E (0.64) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL6001740 0.77 MMP13 (0.75) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL926927 0.77 KDM4E (0.68) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL30719997 0.77 KDM4E (0.68) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL6513838 0.76 KDM4E (0.64) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL384385 0.76 KDM4E (0.74) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL31058816 0.75 KDM4E (0.74) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2

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 KDM4E 569/4885ALDH1A1 4477/4885HPGD 3891/4885

“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.