SCHEMBL1260709

SCHEMBL1260709

CC(C)(C)OC(=O)N1C[C@H](Oc2cccc(O)n2)C[C@@]1(C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.35
GPR119 Q8TDV5 6/20 0.34
USP30 Q70CQ3 2/20 0.33
RORC P51449 2/20 0.33
KDM1A O60341 2/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
PIK3CD O00329 1/20 0.32
CACNB4 O00305 1/20 0.31
CACNA1A O00555 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNG3 O60359 1/20 0.31
CACNA1F O60840 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNB3 P54284 1/20 0.31
CACNA2D1 P54289 1/20 0.31
CACNG7 P62955 1/20 0.31
CACNA1B Q00975 1/20 0.31
CACNA1D Q01668 1/20 0.31
CACNB1 Q02641 1/20 0.31

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
SCHEMBL1260980 0.85 PRMT5 (0.37) USP30
SCHEMBL1260528 0.84 USP30 (0.33) HSD11B1GPR119USP30RORCPIK3CD
SCHEMBL2439748 0.81 USP30 (0.47) GPR119USP30RORCKDM1A
SCHEMBL2434897 0.78 USP30 (0.38) GPR119USP30RORCNR1H2NR1H3
SCHEMBL2059484 0.77 HSD11B1 (0.40) HSD11B1USP30
SCHEMBL1083425 0.77 GPR119 (0.34) GPR119USP30RORCPIK3CD
SCHEMBL1072985 0.77 GPR119 (0.34) GPR119USP30RORCPIK3CD
SCHEMBL6502286 0.76 HDAC1 (0.39) GPR119USP30RORC
SCHEMBL3302945 0.76 GPR119 (0.37) GPR119RORC
SCHEMBL1083306 0.75 MEN1 (0.41) GPR119RORCKDM1ACACNB4CACNA1A

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-20110046161-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2011-02-24 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-20110046161-A1 HCV NS3 PROTEASE INHIBITORS HAVCR2, GTF3C3, CTSC HSD11B1 1201/4885GPR119 3348/4885USP30 436/4885

“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.