SCHEMBL3225784

SCHEMBL3225784

O=S(=O)(c1ccc(N2CCCCC2)cc1)N1CCN(c2ncccc2C(F)(F)F)CC1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 0.76
F13A1 P00488 1/20 0.62
TGM2 P21980 1/20 0.62
TGM1 P22735 1/20 0.62

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
SCHEMBL3213133 0.90 HSD11B1 (0.76) HSD11B1F13A1TGM2TGM1
SCHEMBL3210360 0.90 HSD11B1 (0.74) HSD11B1F13A1TGM2TGM1
SCHEMBL3210183 0.86 HSD11B1 (1.00) HSD11B1
SCHEMBL27756882 0.85 HSD11B1 (0.80) HSD11B1F13A1TGM2TGM1
SCHEMBL19248151 0.85 HSD11B1 (1.00) HSD11B1
SCHEMBL3224382 0.84 HSD11B1 (1.00) HSD11B1F13A1TGM2TGM1
SCHEMBL3608843 0.84 HSD11B1 (1.00) HSD11B1
SCHEMBL3604873 0.83 HSD11B1 (1.00) HSD11B1
SCHEMBL3222994 0.83 HSD11B1 (0.93) HSD11B1F13A1TGM2TGM1
SCHEMBL3213283 0.82 CA12 (0.73) HSD11B1F13A1TGM2TGM1

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 5 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
EP-1981848-A2 11-BETA HSD1 INHIBITORS Wyeth (US) 2008-10-22 EP disclosed
US-20070219198-A1 11-Beta HSD 1 inhibitors WYETH (US) 2007-09-20 US disclosed
WO-2007092435-A2 11-BETA HSD1 INHIBITORS WYETH (US) 2007-08-16 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 (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 1/4885F13A1 3898/4885TGM2 2164/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885F13A1 3856/4885TGM2 2399/4885

“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.