SCHEMBL3210396

SCHEMBL3210396

O=S(=O)(c1cccc2ccccc12)N1CCN(c2ncccc2Cl)CC1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.72
MAPT P10636 4/20 0.60
TP53 P04637 1/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 3/20 0.55
GAA P10253 1/20 0.55
GBA1 P04062 3/20 0.53
CNR1 P21554 1/20 0.49
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 2/20 0.48
CYP3A4 P08684 1/20 0.48
NFKB1 P19838 1/20 0.48
THPO P40225 1/20 0.48
HIF1A Q16665 1/20 0.48
BLM P54132 1/20 0.47

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
SCHEMBL3218052 0.87 HSD11B1 (0.66) HSD11B1ALDH1A1GAAGBA1
SCHEMBL2963574 0.83 HSD11B1 (0.65) HSD11B1MAPTTP53MEN1KMT2A
SCHEMBL2960545 0.81 ALDH1A1 (0.75) HSD11B1MAPTTP53MEN1KMT2A
SCHEMBL8564336 0.80 MEN1 (0.83) HSD11B1MAPTTP53MEN1KMT2A
SCHEMBL3210941 0.78 HSD11B1 (0.72) HSD11B1MEN1KMT2AALDH1A1GAA
SCHEMBL3224518 0.78 HSD11B1 (0.65) HSD11B1ALDH1A1GAAGBA1SMN1; SMN2
SCHEMBL2952847 0.76 MAPT (0.71) HSD11B1MAPTTP53MEN1KMT2A
SCHEMBL2954359 0.76 KMT2A (0.59) HSD11B1MAPTTP53MEN1KMT2A
SCHEMBL3198863 0.76 HSD11B1 (0.81) HSD11B1MAPTGBA1
SCHEMBL3210151 0.75 HSD11B1 (0.75) HSD11B1ALDH1A1GAAGBA1SMN1; SMN2

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 1/4885MAPT 3352/4885TP53 4455/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885MAPT 3097/4885TP53 4733/4885

“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.