SCHEMBL4138268

SCHEMBL4138268

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.33
CFTR P13569 2/20 0.33
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.31
LMNA P02545 2/20 0.31
TSHR P16473 2/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GSTO1 P78417 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
SCHEMBL4149093 0.88 MEN1 (0.33) MEN1KMT2AALDH1A1CFTRPOLB
SCHEMBL4692615 0.85 HDAC4 (0.32)
SCHEMBL4693028 0.80 GSTO1 (0.36) GSTO1
SCHEMBL4152617 0.69 KMT2A (0.43) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL4138263 0.64
SCHEMBL4138437 0.63 KMT2A (0.38) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL11249514 0.62 MEN1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL4155671 0.61 SMN1; SMN2 (0.39) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL31063660 0.61 NPC1 (0.43) KMT2AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL19474972 0.61 L3MBTL1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2MAPT

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 2499/4885ALDH1A1 305/4885
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 2492/4885ALDH1A1 433/4885

“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.