SCHEMBL6609514

SCHEMBL6609514

COC(=O)c1ccc2cc(B(O)OC(C)(C)C(C)(C)O)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.44
LCK P06239 1/20 0.42
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CYP17A1 P05093 1/20 0.39
CYP3A4 P08684 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
XDH P47989 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
PLAU P00749 2/20 0.38
HGFAC Q04756 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL473743 0.86 CA1 (0.44) CA1CA2CA12CA7XDH
SCHEMBL6607443 0.86 PLAU (0.49) PTPN11CYP17A1CYP3A4PLAUHTT
SCHEMBL9893361 0.84 LOXL2 (0.42) RAB9ANPC1KDM4EALDH1A1GAA
SCHEMBL14880289 0.80 CA12 (0.41) PTPN11CA1CA2CA12CA7
SCHEMBL6607430 0.79 ENPP2 (0.41) CA1CA2KDM4EHPGDS
SCHEMBL517925 0.79 CA1 (0.50) CA1CA2CA9PLAUKDM4E
SCHEMBL29750929 0.78 PTPN11 (0.54) PTPN11LCKCYP19A1CYP11B1CYP11B2
SCHEMBL19745607 0.78 PTPN11 (0.54) PTPN11LCKCYP19A1CYP11B1CYP11B2
SCHEMBL1128777 0.77 ESR1 (0.36) CYP3A4CA1CA2ALOX15HTT
SCHEMBL17627595 0.77 CA1 (0.49) CA1CA2CA12CA7XDH

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 PTPN11 734/4885LCK 2738/4885CYP19A1 1466/4885

“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.