SCHEMBL3221836

SCHEMBL3221836

CC(CN(C[C@H](C)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1)OS(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.46
PPARA Q07869 3/20 0.44
MAPT P10636 2/20 0.42
ATM Q13315 2/20 0.40
CTSS P25774 3/20 0.40
CTSL P07711 2/20 0.40
PPARG P37231 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 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
SCHEMBL3221814 1.00 SYK (0.46) SYKPPARAMAPTATMCTSS
SCHEMBL13489651 0.86 SYK (0.48) SYKPPARAMAPTATMCTSS
SCHEMBL1844086 0.80 SYK (0.45) SYKPPARAMAPTATMCTSS
SCHEMBL4612245 0.80 CCR6 (0.39) CA12CA1MEN1ALDH1A1LMNA
SCHEMBL3220050 0.80 CCR6 (0.39) CA12CA1MEN1ALDH1A1LMNA
SCHEMBL3220065 0.80 CCR6 (0.39) CA12CA1MEN1ALDH1A1LMNA
SCHEMBL14990389 0.76 BACE1 (0.46) SYKMAPTATMCTSSCTSL
SCHEMBL14256999 0.76 SYK (0.52) SYKATMCTSSCTSLMEN1
SCHEMBL5729333 0.75 SYK (0.51) SYKATMCTSSCTSLMEN1
SCHEMBL15316179 0.75 BACE1 (0.61) SYKATMCTSSCTSLMEN1

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 SYK 4856/4885PPARA 1862/4885MAPT 3352/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 SYK 4811/4885PPARA 1678/4885MAPT 3097/4885

“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.