SCHEMBL6608249

SCHEMBL6608249

Brc1ccc2cc(-c3cnco3)ccc2c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.70
CYP11B2 P19099 2/20 0.70
GAA P10253 1/20 0.68
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
AAK1 Q2M2I8 5/20 0.50
NOTUM Q6P988 1/20 0.49
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49
MAP4K4 O95819 1/20 0.47
PTK2 Q05397 1/20 0.47
LTA4H P09960 1/20 0.45
KEAP1 Q14145 1/20 0.45
DYRK1A Q13627 3/20 0.44
WNT1 P04628 2/20 0.44
GSK3B P49841 2/20 0.44
CYP17A1 P05093 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL26260196 0.89 CYP11B1 (0.85) CYP11B1CYP11B2GAAMEN1KMT2A
SCHEMBL26260219 0.83 CYP11B1 (0.82) CYP11B1CYP11B2GAAMEN1KMT2A
SCHEMBL4500585 0.82 CYP11B1 (1.00) CYP11B1CYP11B2GAAMEN1KMT2A
SCHEMBL16159857 0.82 CYP11B1 (0.73) CYP11B1CYP11B2GAAMEN1KMT2A
SCHEMBL102644 0.81 GAA (1.00) CYP11B1CYP11B2GAAMEN1KMT2A
SCHEMBL16159090 0.81 CYP11B1 (0.77) CYP11B1CYP11B2GAAMEN1KMT2A
SCHEMBL6608660 0.80 GAA (0.96) CYP11B1CYP11B2GAAMEN1KMT2A
SCHEMBL1519399 0.79 CYP11B1 (0.70) CYP11B1CYP11B2GAAMEN1KMT2A
SCHEMBL4755701 0.79 MEN1 (1.00) CYP11B1CYP11B2GAAMEN1KMT2A
SCHEMBL16159653 0.77 CYP11B1 (0.67) CYP11B1CYP11B2GAAMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP11B1 1192/4885CYP11B2 1426/4885GAA 364/4885

“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.