SCHEMBL4149093

SCHEMBL4149093

CCOC(=O)Cc1c(Br)csc1N(CC(=O)OC(C)(C)C)C(=O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GSTO1 P78417 1/20 0.32
CFTR P13569 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.30
LMNA P02545 1/20 0.30
KCNH2 Q12809 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL4138268 0.88 MEN1 (0.35) MEN1KMT2ASMN1; SMN2GSTO1CFTR
SCHEMBL4693028 0.88 GSTO1 (0.36) GSTO1
SCHEMBL4692615 0.73 HDAC4 (0.32)
SCHEMBL4155671 0.71 SMN1; SMN2 (0.39) MEN1KMT2ASMN1; SMN2L3MBTL1POLB
SCHEMBL4152617 0.69 KMT2A (0.43) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL4149087 0.67 PTPN2 (0.30)
SCHEMBL10866253 0.65 MEN1 (0.47) MEN1KMT2ASMN1; SMN2GSTO1L3MBTL1
SCHEMBL3905163 0.63 KMT2A (0.40) MEN1KMT2ASMN1; SMN2GSTO1L3MBTL1
SCHEMBL2923486 0.61 SMN1; SMN2 (0.41) MEN1KMT2ASMN1; SMN2GSTO1L3MBTL1
SCHEMBL18362421 0.61 CA12 (0.48) SMN1; SMN2L3MBTL1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018329-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS NOVEXEL (FR) 2009-01-15 US disclosed
US-7439253-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors NOVEXEL (FR) 2008-10-21 US disclosed
US-20040157826-A1 Novel heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors AVENTIS PHARMA S.A. (FR) 2004-08-12 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-20040157826-A1 Novel heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors GAA, ALPI, GANAB MEN1 588/4885KMT2A 2499/4885SMN1; SMN2 4403/4885
US-20090018329-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS GAA, GANAB, ALPI MEN1 711/4885KMT2A 2492/4885SMN1; SMN2 4482/4885

“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.