SCHEMBL25568447

SCHEMBL25568447

CC[C@]1(C)C[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.45
TSHR P16473 1/20 0.43
CTSK P43235 2/20 0.42
GAA P10253 2/20 0.41
EPHX1 P07099 1/20 0.40
EPHX2 P34913 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HCRTR2 O43614 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD11B1 P28845 1/20 0.37
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL25568444 1.00 BTK (0.45) BTKTSHRCTSKGAAEPHX1
SCHEMBL21576713 0.87 BTK (0.45) BTKTSHRCTSKGAAEPHX1
SCHEMBL25700652 0.85 BTK (0.44) BTKTSHRCTSKGAAEPHX1
SCHEMBL20064114 0.84 BTK (0.41) BTKTSHRCTSKGAAEPHX1
SCHEMBL28545540 0.83 BTK (0.45) BTKCTSKGAAEPHX1EPHX2
SCHEMBL19021203 0.81 BTK (0.49) BTKCTSKGAAEPHX1EPHX2
SCHEMBL17409347 0.81 BTK (0.49) BTKCTSKGAAEPHX1EPHX2
SCHEMBL14801762 0.81 BTK (0.49) BTKCTSKGAAEPHX1EPHX2
SCHEMBL23369647 0.81 BTK (0.47) BTKCTSKGAAEPHX1EPHX2
SCHEMBL21576860 0.81 BTK (0.43) BTKCTSKGAAEPHX1EPHX2

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-20230159517-A1 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2023-05-25 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-20230159517-A1 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS TCOF1, SLC10A2, PAM BTK 88/4885TSHR 2685/4885CTSK 2003/4885

“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.