SCHEMBL3223500

SCHEMBL3223500

O=S(=O)(c1cccc(Cl)c1)C1CCN(c2ncccc2C(F)(F)F)CC1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 15/20 0.70
TRPA1 O75762 1/20 0.53
RBP4 P02753 1/20 0.49
EPHX2 P34913 1/20 0.47
TRPV1 Q8NER1 1/20 0.46

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
SCHEMBL3220012 0.88 HSD11B1 (0.69) HSD11B1RBP4EPHX2TRPV1
SCHEMBL3209176 0.87 HSD11B1 (0.72) HSD11B1
SCHEMBL3212450 0.87 HSD11B1 (0.67) HSD11B1EPHX2
SCHEMBL3219593 0.86 HSD11B1 (0.51) HSD11B1
SCHEMBL3214389 0.85 MALT1 (0.56) HSD11B1TRPA1
SCHEMBL3216021 0.85 HSD11B1 (0.67) HSD11B1TRPA1RBP4TRPV1
SCHEMBL3221195 0.83 HSD11B1 (0.70) HSD11B1EPHX2
SCHEMBL3221302 0.83 HSD11B1 (1.00) HSD11B1TRPA1
SCHEMBL3202120 0.81 KDM4E (0.52) HSD11B1
SCHEMBL3222429 0.81 HSD11B1 (0.56) HSD11B1EPHX2TRPV1

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 1/4885TRPA1 4872/4885RBP4 2175/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885TRPA1 4834/4885RBP4 2329/4885

“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.