SCHEMBL3221302

SCHEMBL3221302

O=S(=O)(c1cccc(Cl)c1)N1CCN(c2ncccc2C(F)(F)F)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 1.00
TRPA1 O75762 1/20 0.60

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
SCHEMBL19255971 0.88 HSD11B1 (1.00) HSD11B1
SCHEMBL3210183 0.86 HSD11B1 (1.00) HSD11B1
SCHEMBL3225922 0.84 HSD11B1 (0.76) HSD11B1
SCHEMBL3223500 0.83 HSD11B1 (0.70) HSD11B1TRPA1
SCHEMBL3213169 0.82 HSD11B1 (1.00) HSD11B1
SCHEMBL3212631 0.82 HSD11B1 (0.77) HSD11B1TRPA1
SCHEMBL27756882 0.81 HSD11B1 (0.80) HSD11B1
SCHEMBL19248151 0.81 HSD11B1 (1.00) HSD11B1
SCHEMBL3213850 0.81 HSD11B1 (0.78) HSD11B1
SCHEMBL3216021 0.80 HSD11B1 (0.67) HSD11B1TRPA1

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 4872/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885TRPA1 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.