SCHEMBL3215027

SCHEMBL3215027

O=S(=O)(c1ccc(Cl)cc1)C1CCN(c2ncccc2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.49
HTR2A P28223 3/20 0.49
HTR2C P28335 2/20 0.49
DRD2 P14416 1/20 0.49
HSD11B1 P28845 6/20 0.48
CHI3L1 P36222 1/20 0.47
CHIT1 Q13231 1/20 0.47
CHI3L2 Q15782 1/20 0.47
CHIA Q9BZP6 1/20 0.47
NFE2L2 Q16236 1/20 0.43
MALT1 Q9UDY8 2/20 0.43
HRH3 Q9Y5N1 1/20 0.42
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KIF18A Q8NI77 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL3209933 0.88 HSD11B1 (0.54) HSD11B1NFE2L2MALT1
SCHEMBL3219593 0.87 HSD11B1 (0.51) KCNH2DRD2HSD11B1CHI3L1CHIT1
SCHEMBL3214405 0.85 HSD11B1 (0.52) HSD11B1HRH3MEN1KMT2ATDP1
SCHEMBL3220012 0.85 HSD11B1 (0.69) HSD11B1
SCHEMBL3218488 0.79 HRH4 (0.49) HTR2AHTR2CMALT1
SCHEMBL3219142 0.76 HSD11B1 (0.58) HSD11B1MALT1KIF18A
SCHEMBL3216598 0.75 TRPV1 (0.61) KCNH2HSD11B1MALT1MEN1KMT2A
SCHEMBL3214389 0.75 MALT1 (0.56) HSD11B1NFE2L2MALT1KIF18A
SCHEMBL3212450 0.73 HSD11B1 (0.67) HSD11B1
SCHEMBL3209868 0.73 HSD11B1 (0.53) HSD11B1MALT1KIF18A

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 KCNH2 4537/4885HTR2A 2280/4885HTR2C 1366/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 KCNH2 4375/4885HTR2A 1356/4885HTR2C 806/4885

“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.