SCHEMBL6609486

SCHEMBL6609486

O=C(c1ccc(-c2cc[c]cc2)cc1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.52
MLYCD O95822 13/20 0.44
TRPV1 Q8NER1 1/20 0.41
MAP2K4 P45985 1/20 0.41
HDAC6 Q9UBN7 2/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL608510 0.87 CES1 (0.60) CES1MLYCDTRPV1
SCHEMBL19056956 0.87 CES1 (0.65) CES1MLYCDTRPV1MAP2K4HDAC6
SCHEMBL28130460 0.85 CES1 (0.58) CES1MLYCDTRPV1
Zinc Chloride SCHEMBL28130545 0.80 CES1 (0.52) CES1MLYCDTRPV1
SCHEMBL5937390 0.79 CES1 (0.61) CES1MLYCDHDAC6HDAC1
SCHEMBL4502846 0.79 CES1 (0.75) CES1MLYCDHDAC6
SCHEMBL298629 0.74 BCL2L1 (0.58)
SCHEMBL22533041 0.73 MLYCD (0.54) CES1MLYCD
SCHEMBL22733910 0.73 HAO1 (0.50) CES1MLYCDHDAC6
SCHEMBL6613440 0.73 CES1 (0.53) CES1MLYCDMAP2K4

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
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
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
EP-0929508-B1 LIQUID CRYSTALLINE (E,E)-BUTADIENE COMPOUNDS AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS QINETIQ LTD (GB) 2002-03-20 EP disclosed
US-6333082-B1 USEFUL IN SUPER TWISTED NEMATIC LIQUID CRYSTAL DISPLAYS QINETIQ LTD (GB) 2001-12-25 US 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 CES1 180/4885MLYCD 3366/4885TRPV1 2744/4885

“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.