SCHEMBL6607121

SCHEMBL6607121

CC(C)(C)OC(=O)Nc1ccc(-c2cc[c]cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 4/20 0.58
PSMB8 P28062 1/20 0.52
MAP4K4 O95819 1/20 0.51
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
CD274 Q9NZQ7 1/20 0.46
NAMPT P43490 1/20 0.46
PRKDC P78527 1/20 0.44
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL22590 0.92 CYP17A1 (0.50) CYP17A1PSMB8MAP4K4NAMPTCA12
SCHEMBL20865536 0.90 CYP17A1 (0.68) CYP17A1PSMB8MAP4K4PTPN2PTPN1
SCHEMBL13055402 0.84 CYP17A1 (0.59) CYP17A1PSMB8MAP4K4NAMPTCA12
SCHEMBL693943 0.84 CYP17A1 (0.59) CYP17A1HDAC3HDAC1BRD4CREBBP
SCHEMBL3968632 0.83 CYP17A1 (0.61) CYP17A1PSMB8MAP4K4PTPN2PTPN1
SCHEMBL18570243 0.83 CYP17A1 (0.61) CYP17A1PSMB8MAP4K4PTPN1CD274
SCHEMBL6609313 0.83 SMN1; SMN2 (0.58) PTPN1HTTSMN1; SMN2L3MBTL1KIF11
SCHEMBL3785153 0.82 CYP17A1 (0.59) CYP17A1PSMB8MAP4K4PTPN2PTPN1
SCHEMBL20865538 0.82 CYP17A1 (0.59) CYP17A1PSMB8MAP4K4PTPN2PTPN1
SCHEMBL206442 0.82 CYP17A1 (0.59) CYP17A1PSMB8MAP4K4SMN1; SMN2

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 8 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 claimed
US-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US claimed
EP-1423386-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP claimed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 WO claimed
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 CYP17A1 1097/4885PSMB8 1691/4885MAP4K4 3221/4885

“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.