SCHEMBL3219797

SCHEMBL3219797

C[C@H]1CN(C(=O)O)C[C@H](C)N1S(=O)(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.63
HSD11B1 P28845 16/20 0.53
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL754186 0.84 ACHE (0.58) ACHEHSD11B1LMNAGAA
SCHEMBL6341569 0.84 ACHE (0.61) ACHELMNA
SCHEMBL752571 0.83 ACHE (0.53) ACHEHSD11B1GAA
SCHEMBL12169383 0.81 ACHE (0.88) ACHEHSD11B1LMNAGAA
SCHEMBL13489648 0.80 HSD11B1 (0.53) ACHEHSD11B1
SCHEMBL752568 0.80 ACHE (0.52) ACHEHSD11B1LMNAGAA
SCHEMBL752589 0.79 HSD11B1 (0.54) ACHEHSD11B1LMNA
SCHEMBL753799 0.77 ALDH1A1 (0.50) ACHEHSD11B1USP2LMNAGAA
SCHEMBL752741 0.77 HSD11B1 (0.53) ACHEHSD11B1LMNA
SCHEMBL19001134 0.77 ACHE (0.58) ACHEHSD11B1

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 ACHE 4395/4885HSD11B1 1/4885USP2 721/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 ACHE 3693/4885HSD11B1 1/4885USP2 813/4885

“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.