SCHEMBL3209949

SCHEMBL3209949

O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2cccc(Cl)c2Cl)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 3/20 0.58
TSHR P16473 2/20 0.58
PKM P14618 7/20 0.58
PKLR P30613 1/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HSD11B1 P28845 4/20 0.55
LMNA P02545 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL18134604 0.82 MCOLN3 (0.83) MCOLN3TSHRPKMPKLRMEN1
SCHEMBL23051855 0.82 SMN1; SMN2 (0.71) MCOLN3TSHRPKMPKLRMEN1
SCHEMBL3212035 0.82 CTDSP1 (0.62) MCOLN3TSHRPKMPKLRMEN1
SCHEMBL3213621 0.81 PKM (0.71) MCOLN3TSHRPKMPKLRMEN1
SCHEMBL2950531 0.79 LMNA (0.71) MCOLN3TSHRPKMMEN1KMT2A
SCHEMBL3222852 0.79 HSD11B1 (0.74) MCOLN3TSHRPKMPKLRMEN1
SCHEMBL2961007 0.79 SMN1; SMN2 (0.80) TSHRPKMMEN1KMT2ALMNA
SCHEMBL3223609 0.78 CHRM4 (0.57) TSHRKMT2AHSD11B1LMNAMAPT
SCHEMBL3210941 0.78 HSD11B1 (0.72) MCOLN3TSHRPKMMEN1KMT2A
SCHEMBL3215041 0.77 PKM (0.65) MCOLN3TSHRPKMPKLRMEN1

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 MCOLN3 4442/4885TSHR 3335/4885PKM 2924/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 MCOLN3 4525/4885TSHR 2942/4885PKM 2798/4885

“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.