SCHEMBL6078871

SCHEMBL6078871

CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)O)C[C@@]1(C)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 9/20 0.39
▸ CTSK P43235 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ BTK Q06187 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ EPHX1 P07099 1/20 0.37
▸ CCR1 P32246 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL6080385 1.00 HSD11B1 (0.39) HSD11B1CTSKCA1CA2BTK
SCHEMBL12883927 0.88 HSD11B1 (0.41) HSD11B1CTSKCA1CA2BTK
SCHEMBL28852224 0.82 CTSK (0.37) HSD11B1CTSKCA1CA2BTK
SCHEMBL5749095 0.79 MEN1 (0.36) HSD11B1CTSKCA1CA2CYP2C9
SCHEMBL29068480 0.77 CTSK (0.39) HSD11B1CTSKCA1CA2BTK
SCHEMBL6187601 0.75 CTSK (0.56) HSD11B1CTSKCA1CA2BTK
SCHEMBL17781920 0.75 APLNR (0.37) HSD11B1CTSKCA1CA2BTK
SCHEMBL24821867 0.74 BTK (0.44) HSD11B1CTSKCA1CA2BTK
SCHEMBL15191538 0.74 BTK (0.44) HSD11B1CTSKCA1CA2BTK
SCHEMBL21551186 0.74 CTSK (0.44) HSD11B1CTSKCA1CA2BTK

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-20060041123-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-02-23 — — 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-20060041123-A1 Antibacterial agents NQO2, NRDC, IFNG HSD11B1 4515/4885CTSK 822/4885CA1 4867/4885

“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.

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