SCHEMBL3201987

SCHEMBL3201987

Cc1cccnc1N1CCN(S(=O)(=O)c2ccc3c(c2)sc2ccccc23)CC1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.64
F13A1 P00488 1/20 0.52
TGM2 P21980 1/20 0.52
TGM1 P22735 1/20 0.52
TGM3 Q08188 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.47
GBA1 P04062 5/20 0.47
RAB9A P51151 1/20 0.46
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL3221605 0.94 HSD11B1 (0.64) HSD11B1F13A1TGM2TGM1TGM3
SCHEMBL3218473 0.85 HSD11B1 (0.68) HSD11B1
SCHEMBL3212628 0.81 HSD11B1 (0.64) HSD11B1F13A1TGM2TGM1TGM3
SCHEMBL3223586 0.80 HSD11B1 (0.72) HSD11B1F13A1TGM2TGM1TGM3
SCHEMBL3209872 0.79 HSD11B1 (0.64) HSD11B1F13A1TGM2TGM1TGM3
SCHEMBL3226054 0.79 HSD11B1 (0.73) HSD11B1F13A1TGM2TGM1TGM3
SCHEMBL3207656 0.79 HSD11B1 (0.68) HSD11B1F13A1TGM2TGM1
SCHEMBL3223804 0.78 HSD11B1 (0.79) HSD11B1F13A1TGM2TGM1TGM3
SCHEMBL3217908 0.78 HSD11B1 (0.58) HSD11B1F13A1TGM2TGM1TGM3
SCHEMBL3202139 0.78 HSD11B1 (0.58) HSD11B1F13A1TGM2TGM1TGM3

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 1/4885F13A1 3898/4885TGM2 2164/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885F13A1 3856/4885TGM2 2399/4885

“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.