SCHEMBL13489651

SCHEMBL13489651

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.48
PPARA Q07869 3/20 0.46
CTSL P07711 3/20 0.46
PSEN1 P49768 2/20 0.44
PSEN2 P49810 2/20 0.44
APH1B Q8WW43 2/20 0.44
NCSTN Q92542 2/20 0.44
APH1A Q96BI3 2/20 0.44
PSENEN Q9NZ42 2/20 0.44
BACE1 P56817 2/20 0.44
CTSS P25774 4/20 0.43
MAPT P10636 1/20 0.43
KLK5 Q9Y337 2/20 0.43
ATM Q13315 1/20 0.43
ACE P12821 1/20 0.43
PPARG P37231 2/20 0.42
CTSB P07858 2/20 0.42
CTSK P43235 2/20 0.42

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
SCHEMBL3221836 0.86 SYK (0.46) SYKPPARACTSLPSEN1PSEN2
SCHEMBL3221814 0.86 SYK (0.46) SYKPPARACTSLPSEN1PSEN2
SCHEMBL1844086 0.85 SYK (0.45) SYKPPARACTSLPSEN1PSEN2
SCHEMBL15316179 0.82 BACE1 (0.61) SYKCTSLBACE1CTSSATM
SCHEMBL14256999 0.81 SYK (0.52) SYKCTSLBACE1CTSSATM
SCHEMBL8231340 0.80 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL692255 0.80 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5729333 0.80 SYK (0.51) SYKCTSLBACE1CTSSATM
SCHEMBL1568742 0.80 CCR6 (0.41) SYKBACE1MAPT
SCHEMBL8693569 0.79 SYK (0.50) SYKCTSLBACE1CTSSATM

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 6 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-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-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
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 1862/4885CTSL 2674/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 SYK 4811/4885PPARA 1678/4885CTSL 2288/4885

“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.