SCHEMBL3205817

SCHEMBL3205817

CC(C)(C)c1ccc(S(=O)(=O)N2CCN(c3cccc(F)c3C(F)(F)F)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 13/20 0.76
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.51
GAA P10253 1/20 0.51
POLB P06746 1/20 0.50
MAOA P21397 1/20 0.48
TSHR P16473 1/20 0.47
MAPK1 P28482 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
SCHEMBL3209230 0.86 HSD11B1 (0.57) HSD11B1ALDH1A1LMNATSHRMAPK1
SCHEMBL3201922 0.81 HSD11B1 (0.69) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL3215041 0.81 PKM (0.65) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL3221923 0.79 ALDH1A1 (0.52) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL3607585 0.78 HSD11B1 (0.91) HSD11B1MEN1KMT2ATDP1ALDH1A1
SCHEMBL733985 0.74 HTT (0.62) HSD11B1MEN1KMT2ATDP1ALDH1A1
SCHEMBL3604873 0.74 HSD11B1 (1.00) HSD11B1
SCHEMBL3223735 0.73 HSD11B1 (0.61) HSD11B1
SCHEMBL20772166 0.71 HSD11B1 (0.73) HSD11B1MEN1KMT2ATDP1ALDH1A1
SCHEMBL12169362 0.71 LMNA (0.73) HSD11B1MEN1KMT2ATDP1ALDH1A1

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 1/4885MEN1 1354/4885KMT2A 1609/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885MEN1 1687/4885KMT2A 1591/4885

“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.