SCHEMBL6607114

SCHEMBL6607114

CC(C)(O)C(C)(C)OB(O)c1ccc2cc(-c3cnco3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
CYP17A1 P05093 1/20 0.43
DYRK1A Q13627 12/20 0.41
GSK3B P49841 11/20 0.41
WNT1 P04628 9/20 0.41
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
LTA4H P09960 1/20 0.36
TTK P33981 1/20 0.36
IMPDH2 P12268 1/20 0.36
IMPDH1 P20839 1/20 0.36

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
SCHEMBL6611235 0.87 LMNA (0.45) CYP11B1CYP11B2LMNAPKMCYP3A4
SCHEMBL6607197 0.80 IMPDH2 (0.45) AAK1IMPDH2IMPDH1
SCHEMBL517925 0.74 CA1 (0.50)
SCHEMBL26260196 0.73 CYP11B1 (0.85) CYP11B1CYP11B2CYP17A1DYRK1AGSK3B
SCHEMBL1128777 0.73 ESR1 (0.36) LMNACYP3A4CYP2D6
SCHEMBL6607430 0.72 ENPP2 (0.41)
SCHEMBL6609528 0.71 ACACB (0.41) CYP3A4CYP2D6
SCHEMBL6609803 0.69 TUBB4A (0.30)
SCHEMBL6607392 0.69 ATM (0.35)
SCHEMBL6611021 0.69 KDM4E (0.38)

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 1426/4885CYP17A1 1097/4885

“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.