SCHEMBL6608660

SCHEMBL6608660

Brc1ccc(-c2ccc(-c3cnco3)cc2)cc1

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.96
PKM P14618 3/20 0.62
LMNA P02545 2/20 0.62
NOTUM Q6P988 1/20 0.62
PTK2 Q05397 1/20 0.61
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
KEAP1 Q14145 1/20 0.56
LTA4H P09960 1/20 0.51
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
AAK1 Q2M2I8 1/20 0.49
CYP2D6 P10635 3/20 0.49
CYP3A4 P08684 2/20 0.49
MAP4K4 O95819 1/20 0.46
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL102644 0.98 GAA (1.00) GAAPKMLMNANOTUMPTK2
SCHEMBL10768177 0.87 PKM (0.78) GAAPKMLMNANOTUMPTK2
SCHEMBL15013310 0.81 LMNA (0.64) GAAPKMLMNANOTUMPTK2
SCHEMBL19219054 0.81 PTK2 (0.91) GAAPKMLMNANOTUMPTK2
SCHEMBL6608249 0.80 CYP11B1 (0.70) GAAPKMLMNANOTUMPTK2
SCHEMBL7995967 0.79 PKM (0.62) GAAPKMLMNANOTUMPTK2
SCHEMBL16159857 0.78 CYP11B1 (0.73) GAAPKMLMNANOTUMPTK2
SCHEMBL6606173 0.78 PKM (0.60) GAAPKMLMNANOTUMPTK2
SCHEMBL17965559 0.78 GAA (0.66) GAAPKMLMNANOTUMPTK2
SCHEMBL472353 0.77 NOTUM (1.00) GAAPKMLMNANOTUMPTK2

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
CN-1582287-A Thiophenylthiopyrane dioxides as MMP or TNF-alpha inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2005-02-16 CN disclosed
US-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US disclosed
EP-1423386-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP disclosed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 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-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors TNF, MMP9, MMP1 GAA 364/4885PKM 3258/4885LMNA 2725/4885

“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.