SCHEMBL6607965

SCHEMBL6607965

C[Si](C)(C)C#Cc1ccc(-c2cnco2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.62
PKM P14618 3/20 0.58
LMNA P02545 2/20 0.58
NOTUM Q6P988 1/20 0.53
GAA P10253 1/20 0.53
PTK2 Q05397 1/20 0.52
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
ACACB O00763 1/20 0.49
LTA4H P09960 1/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
IMPDH2 P12268 2/20 0.40
IMPDH1 P20839 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
AAK1 Q2M2I8 2/20 0.40
MAP4K4 O95819 1/20 0.40
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39

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
SCHEMBL6852110 0.81 KEAP1 (0.64) KEAP1PKMLMNANOTUMGAA
SCHEMBL16123105 0.80 KEAP1 (0.58) KEAP1PKMLMNANOTUMGAA
SCHEMBL10768177 0.79 PKM (0.78) KEAP1PKMLMNANOTUMGAA
SCHEMBL6850577 0.77 KEAP1 (0.63) KEAP1PKMLMNANOTUMGAA
SCHEMBL6852645 0.77 KEAP1 (0.63) KEAP1PKMLMNANOTUMGAA
SCHEMBL2854252 0.77 CYP1A1 (0.44) KCNH2
SCHEMBL2921542 0.77 KEAP1 (0.68) KEAP1PKMLMNANOTUMGAA
SCHEMBL6608245 0.77 KEAP1 (0.68) KEAP1PKMLMNANOTUMGAA
SCHEMBL1007903 0.77 KEAP1 (1.00) KEAP1PKMLMNANOTUMGAA
SCHEMBL1306384 0.74 GABRA1 (0.38) PKMLMNACYP3A4CYP2D6KMT2A

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 KEAP1 1386/4885PKM 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.