SCHEMBL3209933

SCHEMBL3209933

O=S(=O)(c1ccc(Cl)cc1)C1CCN(c2ncccc2Cl)CC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.54
MALT1 Q9UDY8 8/20 0.49
TRPA1 O75762 1/20 0.49
TRPV1 Q8NER1 2/20 0.44
NFE2L2 Q16236 2/20 0.42

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
SCHEMBL3215027 0.88 KCNH2 (0.49) HSD11B1MALT1NFE2L2
SCHEMBL3219142 0.88 HSD11B1 (0.58) HSD11B1MALT1TRPV1
SCHEMBL3216598 0.87 TRPV1 (0.61) HSD11B1MALT1TRPA1TRPV1
SCHEMBL3214389 0.86 MALT1 (0.56) HSD11B1MALT1TRPA1NFE2L2
SCHEMBL3221937 0.84 HSD11B1 (0.51) HSD11B1MALT1TRPV1
SCHEMBL3220012 0.84 HSD11B1 (0.69) HSD11B1TRPV1
SCHEMBL3221162 0.83 CTSS (0.54) HSD11B1MALT1TRPV1
SCHEMBL3218488 0.81 HRH4 (0.49) MALT1
SCHEMBL3198863 0.80 HSD11B1 (0.81) HSD11B1TRPA1
SCHEMBL3209868 0.77 HSD11B1 (0.53) HSD11B1MALT1TRPV1

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-20100029648-A1 11-Beta HSD1 Inhibitors XIANG JASON SHAOYUN 2010-02-04 US disclosed
US-7632838-B2 11-beta HSD1 inhibitors WYETH (US) 2009-12-15 US disclosed
US-20070219198-A1 11-Beta HSD 1 inhibitors WYETH (US) 2007-09-20 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 (2 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-20100029648-A1 11-Beta HSD1 Inhibitors HSD11B1, HSD3B1, HSD11B2 HSD11B1 1/4885MALT1 556/4885TRPA1 4872/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885MALT1 593/4885TRPA1 4834/4885

“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.