SCHEMBL16936740

SCHEMBL16936740

CC(C)(C)OC(=O)N1CCC(O)(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.47
AAK1 Q2M2I8 1/20 0.39
RORC P51449 5/20 0.39
SCD5 Q86SK9 1/20 0.38
DRD2 P14416 3/20 0.38
CYP11B2 P19099 1/20 0.37
F2 P00734 1/20 0.37
F11 P03951 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
HDAC2 Q92769 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 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
SCHEMBL2322273 0.93 USP30 (0.48) USP30AAK1DRD2F2F11
SCHEMBL16936333 0.91 USP30 (0.48) USP30AAK1RORCF2F11
SCHEMBL29483061 0.84 USP30 (0.54) USP30AAK1SCD5CYP11B2PRMT5
SCHEMBL22660783 0.84 USP30 (0.54) USP30AAK1SCD5CYP11B2PRMT5
SCHEMBL26985501 0.83 RORC (0.42) USP30RORCSCD5CYP11B2HDAC2
SCHEMBL15168040 0.83 USP30 (0.48) USP30AAK1RORCF2F11
SCHEMBL12779985 0.82 USP30 (0.47) USP30AAK1SCD5PRMT5WDR77
SCHEMBL23538742 0.81 USP30 (0.46) USP30RORCSCD5CYP11B2HDAC2
SCHEMBL3027585 0.81 USP30 (0.48) USP30AAK1DRD2PRMT5WDR77
SCHEMBL22532968 0.80 USP30 (0.49) USP30AAK1PRMT5WDR77ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3096754-B1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME (US) 2018-08-29 EP disclosed
US-9708336-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-07-18 US disclosed
EP-3096754-A1 METALLO-BETA-LACTAMASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-11-30 EP disclosed
US-20160333021-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-11-17 US disclosed
WO-2015112441-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-07-30 WO 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-20160333021-A1 METALLO-BETA-LACTAMASE INHIBITORS MGAM, MGAM2, GAA USP30 2030/4885AAK1 4190/4885RORC 1415/4885

“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.