SCHEMBL3222011

SCHEMBL3222011

COc1ccc(S(=O)(=O)N2CCN(c3ncccc3Cl)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.76
PKM P14618 2/20 0.61
NPC1 O15118 1/20 0.61
PKLR P30613 1/20 0.61
RAB9A P51151 1/20 0.61
LMNA P02545 1/20 0.60
TSHR P16473 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
ALDH1A1 P00352 1/20 0.60
PIK3CD O00329 1/20 0.57
PIK3CA P42336 1/20 0.57
PIK3CG P48736 1/20 0.57
TP53 P04637 1/20 0.56
POLB P06746 1/20 0.56
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
GBA1 P04062 1/20 0.54
HTT P42858 2/20 0.54
MAPT P10636 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
SCHEMBL3217790 0.86 HSD11B1 (1.00) HSD11B1RAB9AKMT2AMEN1GBA1
SCHEMBL3198863 0.86 HSD11B1 (0.81) HSD11B1GBA1MAPT
SCHEMBL3212746 0.83 HSD11B1 (0.76) HSD11B1KMT2AMEN1GBA1
SCHEMBL3210151 0.82 HSD11B1 (0.75) HSD11B1TSHRSMN1; SMN2ALDH1A1GBA1
SCHEMBL3210941 0.81 HSD11B1 (0.72) HSD11B1PKMLMNATSHRSMN1; SMN2
SCHEMBL1722721 0.78 PKM (1.00) HSD11B1PKMNPC1PKLRRAB9A
SCHEMBL31315853 0.78 PKM (1.00) HSD11B1PKMNPC1PKLRRAB9A
SCHEMBL3217991 0.78 HSD11B1 (0.81) HSD11B1MAPT
SCHEMBL3218052 0.77 HSD11B1 (0.66) HSD11B1ALDH1A1GBA1
SCHEMBL20887229 0.75 ALDH1A1 (0.74) HSD11B1PKMNPC1PKLRRAB9A

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 1/4885PKM 2924/4885NPC1 647/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885PKM 2798/4885NPC1 747/4885

“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.