SCHEMBL25568259

SCHEMBL25568259

CC(C)(C)OC(=O)N1CC2CCC(C1)C2NC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
HSD11B1 P28845 1/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
STS P08842 1/20 0.46
CPB1 P15086 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
PDE4B Q07343 1/20 0.45
GPR119 Q8TDV5 2/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43

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
SCHEMBL28560717 0.91 PDE4B (0.54) JAK2JAK1HSD11B1CTSLPDE4B
SCHEMBL28560713 0.91 PDE4B (0.54) JAK2JAK1HSD11B1CTSLPDE4B
SCHEMBL21551304 0.90 ALDH1A1 (0.46) HSD11B1ALDH1A1GAASTSCPB1
SCHEMBL3843559 0.90 ALDH1A1 (0.46) HSD11B1ALDH1A1GAASTSCPB1
SCHEMBL15749489 0.90 ALDH1A1 (0.46) HSD11B1ALDH1A1GAASTSCPB1
SCHEMBL31045669 0.87 HSD11B1 (0.53) JAK2JAK1HSD11B1ALDH1A1GAA
SCHEMBL10450036 0.87 HSD11B1 (0.52) JAK2JAK1HSD11B1ALDH1A1GAA
SCHEMBL27345269 0.87 HSD11B1 (0.52) JAK2JAK1HSD11B1ALDH1A1GAA
SCHEMBL10320596 0.87 HSD11B1 (0.52) JAK2JAK1HSD11B1ALDH1A1GAA
SCHEMBL21653651 0.86 JAK2 (0.45) JAK2JAK1HSD11B1ALDH1A1GAA

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 JAK2 4180/4885JAK1 3047/4885HSD11B1 1919/4885

“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.