SCHEMBL3033655

SCHEMBL3033655

NC(=O)OC1C2CC3CC1CC(O)(C3)C2

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 15/20 0.42
HSD11B2 P80365 2/20 0.36
EPHX2 P34913 1/20 0.34
JAK2 O60674 3/20 0.34
JAK1 P23458 3/20 0.34
TYK2 P29597 3/20 0.34
JAK3 P52333 3/20 0.34

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
SCHEMBL12791827 0.83 HSD11B1 (0.44) HSD11B1HSD11B2EPHX2
SCHEMBL2636721 0.83 HSD11B1 (0.44) HSD11B1HSD11B2EPHX2
SCHEMBL8099017 0.81 HSD11B1 (0.44) HSD11B1HSD11B2EPHX2
SCHEMBL13081509 0.77 HSD11B1 (0.44) HSD11B1HSD11B2EPHX2
SCHEMBL10087714 0.77 HSD11B1 (0.40) HSD11B1HSD11B2EPHX2
SCHEMBL13586952 0.77 HSD11B1 (0.41) HSD11B1HSD11B2EPHX2JAK2
SCHEMBL3042143 0.77 JAK2 (0.40) HSD11B1JAK2JAK1JAK3
SCHEMBL3218526 0.76 HSD11B1 (0.41) HSD11B1HSD11B2EPHX2
SCHEMBL1155595 0.76 HSD11B1 (0.50) HSD11B1EPHX2
SCHEMBL12128673 0.75 HSD11B1 (0.46) HSD11B1HSD11B2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS ASTELLAS PHARMA INC (JP) 2010-08-26 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 (1 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-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS LCK, ZAP70, FYN HSD11B1 3157/4885HSD11B2 3682/4885EPHX2 2243/4885

“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.