SCHEMBL4248332

SCHEMBL4248332

O=CN(OCc1ccccc1)/C(=C/CCc1ccc(Br)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.42
PDPK1 O15530 1/20 0.40
FFAR1 O14842 3/20 0.38
FFAR4 Q5NUL3 3/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
POLB P06746 2/20 0.38
HSP90AA1 P07900 1/20 0.38
GRIK1 P39086 1/20 0.37
FABP7 O15540 1/20 0.37
FABP5 Q01469 1/20 0.37
HDAC3 O15379 1/20 0.36
PLAAT3 P53816 1/20 0.35
PLAAT5 Q96KN8 1/20 0.35
PLAAT2 Q9NWW9 1/20 0.35
PLAAT4 Q9UL19 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL2855445 0.93 GRIK1 (0.42) GPR52FFAR1FFAR4KMT2AGRIK1
SCHEMBL2856443 0.86 MEN1 (0.47) GPR52FFAR1KMT2AMEN1PLAAT3
SCHEMBL2854034 0.79 ALDH1A1 (0.37) KMT2AMEN1L3MBTL1
SCHEMBL2851833 0.78 ABCB1 (0.41) KMT2AMEN1L3MBTL1
SCHEMBL2859326 0.78 ALDH1A1 (0.36) KMT2AMEN1
SCHEMBL2849986 0.76 ALDH1A1 (0.42) KMT2AMEN1L3MBTL1
SCHEMBL4388299 0.74 CYP3A4 (0.44) KMT2AMEN1L3MBTL1
SCHEMBL4248334 0.70 GPR52 (0.43) GPR52KMT2AMEN1POLBFABP7
SCHEMBL4248329 0.70 GPR52 (0.43) GPR52KMT2AMEN1POLBFABP7
SCHEMBL1569020 0.69 CCNC (0.37) KMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582797-B2 Derivatives of 4,4′-dithiobis-(3-aminobutane-1-sulfonates) and compositions comprising the same INSTITUTE NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2009-09-01 US disclosed
US-20060205695-A1 Novel derivatives of 4,4' dithiobis-(3-aminobutane-1-1-sulfonates) and compositions comprising the same INSTITUT NATINAL DE LA SANTE ET DE LA RECHERECHE (INSERM) (FR) 2006-09-14 US disclosed
EP-1651596-A1 NOVEL DERIVATIVES OF 4,4'-DITHIOBIS-(3-AMINOBUTANE-1-SULFONATES) AND COMPOSITIONS COMPRISING THE SAME INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2006-05-03 EP disclosed
WO-2005014535-A1 NOVEL DERIVATIVES OF 4,4'-DITHIOBIS-(3-AMINOBUTANE-1-SULFONATES) AND COMPOSITIONS COMPRISING THE SAME INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2005-02-17 WO 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 (1 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-20060205695-A1 Novel derivatives of 4,4' dithiobis-(3-aminobutane-1-1-sulfonates) and compositions comprising the same AGTR1, AGTR2, AGT GPR52 3258/4885PDPK1 2620/4885FFAR1 933/4885

“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.