SCHEMBL6001740

SCHEMBL6001740

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 8/20 0.75
MMP2 P08253 6/20 0.75
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 4/20 0.58
HPGD P15428 4/20 0.58
RAB9A P51151 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HSD17B10 Q99714 2/20 0.58
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
KMT2A Q03164 3/20 0.51
GAA P10253 2/20 0.51
MEN1 O00255 2/20 0.51
GLA P06280 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
SCHEMBL8408444 0.86 MMP13 (1.00) MMP13MMP2KDM4EALDH1A1HPGD
SCHEMBL6001666 0.82 KDM4E (0.52) MMP13MMP2KDM4EALDH1A1HPGD
SCHEMBL6001724 0.80 MMP13 (0.76) MMP13MMP2KDM4EALDH1A1HPGD
SCHEMBL4588200 0.80 MMP13 (0.68) MMP13MMP2KDM4EALDH1A1HPGD
SCHEMBL8204370 0.79 MMP13 (0.83) MMP13MMP2KDM4EALDH1A1HPGD
SCHEMBL8209912 0.79 MMP13 (0.83) MMP13MMP2KDM4EALDH1A1HPGD
SCHEMBL8793439 0.79 MMP13 (0.71) MMP13MMP2KDM4EALDH1A1HPGD
SCHEMBL2847609 0.79 MMP13 (0.71) MMP13MMP2KDM4EALDH1A1HPGD
SCHEMBL2391276 0.79 KDM4E (0.67) MMP13MMP2KDM4EALDH1A1HPGD
SCHEMBL7208205 0.79 ALDH1A1 (0.56) MMP13MMP2KDM4EALDH1A1HPGD

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 4 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

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 MMP13 3058/4885MMP2 1142/4885KDM4E 569/4885

“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.