SCHEMBL4138437

SCHEMBL4138437

CCOC(=O)Cc1c(Br)csc1OS(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
ALDH1A1 P00352 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL4152617 0.76 KMT2A (0.43) KMT2AMEN1ALDH1A1GAALMNA
SCHEMBL19474972 0.67 L3MBTL1 (0.46) KMT2AMEN1ALDH1A1GAAL3MBTL1
SCHEMBL25664507 0.67 GAA (0.57) KMT2AALDH1A1GAAL3MBTL1LMNA
SCHEMBL4155671 0.65 SMN1; SMN2 (0.39) KMT2AMEN1ALDH1A1GAAL3MBTL1
SCHEMBL7958215 0.65 SMN1; SMN2 (0.46) KMT2AMEN1ALDH1A1GAALMNA
SCHEMBL18430373 0.65 KDM4E (0.45) KMT2AMEN1ALDH1A1CYP2C9L3MBTL1
SCHEMBL31514229 0.64 GAA (0.40) KMT2AMEN1ALDH1A1GAAL3MBTL1
SCHEMBL1525238 0.64 MEN1 (0.66) KMT2AMEN1ALDH1A1CYP2C9CYP2C19
SCHEMBL7960171 0.64 NPSR1 (0.46) KMT2AMEN1ALDH1A1L3MBTL1LMNA
SCHEMBL25309164 0.63 MEN1 (0.49) KMT2AMEN1ALDH1A1GAALMNA

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 KMT2A 2499/4885MEN1 588/4885ALDH1A1 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 KMT2A 2492/4885MEN1 711/4885ALDH1A1 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.