SCHEMBL3218052

SCHEMBL3218052

O=S(=O)(c1ccccc1Cl)N1CCN(c2ncccc2Cl)CC1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.66
CHRM4 P08173 2/20 0.58
GBA1 P04062 2/20 0.56
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL3224518 0.89 HSD11B1 (0.65) HSD11B1CHRM4GBA1ALDH1A1GAA
SCHEMBL3210396 0.87 HSD11B1 (0.72) HSD11B1GBA1ALDH1A1GAA
SCHEMBL3213850 0.86 HSD11B1 (0.78) HSD11B1
SCHEMBL2961253 0.85 SMN1; SMN2 (0.66) CHRM4GBA1ALDH1A1GAA
SCHEMBL2963390 0.85 HSD11B1 (0.67) HSD11B1CHRM4GBA1ALDH1A1
SCHEMBL2963306 0.83 ALDH1A1 (0.68) CHRM4ALDH1A1
SCHEMBL5439348 0.82 HSD11B1 (0.72) HSD11B1
SCHEMBL3198863 0.82 HSD11B1 (0.81) HSD11B1GBA1
SCHEMBL3210151 0.81 HSD11B1 (0.75) HSD11B1GBA1ALDH1A1GAA
SCHEMBL2953059 0.81 CHRM4 (0.53) HSD11B1CHRM4GBA1ALDH1A1GAA

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 1/4885CHRM4 4870/4885GBA1 3525/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885CHRM4 4818/4885GBA1 4014/4885

“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.