SCHEMBL4152612

SCHEMBL4152612

CCOC(=O)C(O)c1cscc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
NPC1 O15118 2/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MMP8 P22894 2/20 0.33
CASP1 P29466 1/20 0.33
GPR35 Q9HC97 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PIN1 Q13526 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
THRB P10828 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL10762496 0.82
SCHEMBL4138434 0.77 ALDH1A1 (0.33) MAPTNPSR1NPC1POLBPKM
SCHEMBL20604149 0.76 ALDH1A1 (0.35) MAPTNPSR1NPC1POLBPKM
SCHEMBL29524567 0.75 PIN1 (0.47) NPC1POLBMMP8CASP1TSHR
SCHEMBL2393006 0.75 PIN1 (0.47) NPC1POLBMMP8CASP1TSHR
SCHEMBL4697287 0.74 LMNA (0.35) POLBPKMKMT2A
SCHEMBL21677184 0.72
SCHEMBL4155668 0.71 MAPT (0.34) MAPTNPSR1NPC1RAB9AMEN1
SCHEMBL11074118 0.70 MMP8 (0.39) MAPTNPSR1NPC1POLBRAB9A
SCHEMBL334772 0.70 TSHR (0.50) MAPTNPSR1NPC1POLBPKM

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 MAPT 4181/4885NPSR1 4084/4885NPC1 1736/4885
US-20090018329-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS GAA, GANAB, ALPI MAPT 4098/4885NPSR1 4078/4885NPC1 2035/4885

“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.