SCHEMBL25568564

SCHEMBL25568564

CC[C@H]1CC[C@](C)(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 2/20 0.36
APLNR P35414 1/20 0.36
EPHX1 P07099 1/20 0.35
RORC P51449 1/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
BTK Q06187 1/20 0.34
TSHR P16473 1/20 0.34
HCRTR2 O43614 1/20 0.34
CTSL P07711 1/20 0.33

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
SCHEMBL4483882 0.86 KMT2A (0.38) KMT2AALDH1A1MEN1MAPK1GAA
SCHEMBL4483887 0.86 KMT2A (0.38) KMT2AALDH1A1MEN1MAPK1GAA
SCHEMBL23223893 0.85 KMT2A (0.38) KMT2AALDH1A1MEN1MAPK1GAA
SCHEMBL15115795 0.82 KMT2A (0.42) KMT2AALDH1A1MEN1MAPK1GAA
SCHEMBL26342483 0.82 MEN1 (0.42) KMT2AMEN1MAPK1GAAAPLNR
SCHEMBL1730719 0.82 KMT2A (0.42) KMT2AALDH1A1MEN1MAPK1GAA
SCHEMBL2087734 0.81 RORC (0.43) KMT2AMEN1MAPK1GAAAPLNR
SCHEMBL10127311 0.81 MEN1 (0.41) KMT2AMEN1MAPK1GAAAPLNR
SCHEMBL13485258 0.81 MEN1 (0.41) KMT2AMEN1MAPK1GAAAPLNR
SCHEMBL13485263 0.81 MEN1 (0.41) KMT2AMEN1MAPK1GAAAPLNR

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 KMT2A 2833/4885ALDH1A1 4179/4885MEN1 77/4885

“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.