SCHEMBL3209868

SCHEMBL3209868

Cc1cccnc1N1CCC(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.53
MALT1 Q9UDY8 2/20 0.46
F13A1 P00488 1/20 0.43
TGM2 P21980 1/20 0.43
TGM1 P22735 1/20 0.43
TGM3 Q08188 1/20 0.43
KIF18A Q8NI77 4/20 0.42
SMO Q99835 3/20 0.41
TRPV1 Q8NER1 1/20 0.41
RECQL P46063 1/20 0.41
AVPR1A P37288 1/20 0.40

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
SCHEMBL3219142 0.90 HSD11B1 (0.58) HSD11B1MALT1KIF18ATRPV1RECQL
SCHEMBL3216059 0.84 HSD11B1 (0.50) HSD11B1MALT1F13A1TGM2TGM1
SCHEMBL3209176 0.84 HSD11B1 (0.72) HSD11B1
SCHEMBL3210155 0.84 HSD11B1 (0.53) HSD11B1MALT1KIF18ARECQL
SCHEMBL3221948 0.84 ALDH1A1 (0.55) HSD11B1MALT1
SCHEMBL3226054 0.82 HSD11B1 (0.73) HSD11B1F13A1TGM2TGM1TGM3
SCHEMBL3210172 0.81 HSD11B1 (0.51) HSD11B1F13A1TGM2TGM1TGM3
SCHEMBL3201988 0.80 MALT1 (0.46) HSD11B1MALT1
SCHEMBL3221937 0.77 HSD11B1 (0.51) HSD11B1MALT1KIF18ATRPV1
SCHEMBL3209933 0.77 HSD11B1 (0.54) HSD11B1MALT1TRPV1

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 3 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
US-20070219198-A1 11-Beta HSD 1 inhibitors WYETH (US) 2007-09-20 US 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 1/4885MALT1 556/4885F13A1 3898/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885MALT1 593/4885F13A1 3856/4885

“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.