SCHEMBL22154140

SCHEMBL22154140

CC(C)(C)OC(=O)n1cc(CO)c2c(Br)cccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
EPHX1 P07099 1/20 0.42
HTR6 P50406 1/20 0.41
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
PDE10A Q9Y233 1/20 0.39
ACHE P22303 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PIM1 P11309 1/20 0.36
MARK3 P27448 1/20 0.36
MAP4K2 Q12851 1/20 0.36
CAMK2B Q13554 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
ADAM17 P78536 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
SCHEMBL30682532 1.00 L3MBTL1 (0.51) L3MBTL1EPHX1HTR6BRD4CREBBP
SCHEMBL3562734 0.85 L3MBTL1 (0.45) L3MBTL1EPHX1HTR6BRD4CREBBP
SCHEMBL30682524 0.85 L3MBTL1 (0.51) L3MBTL1EPHX1HTR6BRD4CREBBP
SCHEMBL2315227 0.85 L3MBTL1 (0.51) L3MBTL1EPHX1HTR6BRD4CREBBP
SCHEMBL30682458 0.85 L3MBTL1 (0.51) L3MBTL1EPHX1HTR6BRD4CREBBP
SCHEMBL1228708 0.85 L3MBTL1 (0.51) L3MBTL1EPHX1HTR6BRD4CREBBP
SCHEMBL31134749 0.83 L3MBTL1 (0.45) L3MBTL1EPHX1HTR6BRD4CREBBP
SCHEMBL30682490 0.83 SLC7A5 (0.43) L3MBTL1EPHX1HTR6BRD4CREBBP
SCHEMBL22154080 0.82 L3MBTL1 (0.49) L3MBTL1EPHX1HTR6BRD4CREBBP
SCHEMBL30682530 0.82 L3MBTL1 (0.49) L3MBTL1EPHX1HTR6BRD4CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11192888-B2 Antibacterial compounds THE UNIVERSITY OF NOTTINGHAM (GB) 2021-12-07 US disclosed
US-20200199118-A1 ANTIBACTERIAL COMPOUNDS THE UNIVERSITY OF NOTTINGHAM (GB) 2020-06-25 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 (2 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-11192888-B2 Antibacterial compounds CFTR, CLPP, MRPL21 L3MBTL1 2697/4885EPHX1 4203/4885HTR6 4050/4885
US-20200199118-A1 ANTIBACTERIAL COMPOUNDS CFTR, CLPP, MRPL21 L3MBTL1 2697/4885EPHX1 4203/4885HTR6 4050/4885

“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.