SCHEMBL2856443

SCHEMBL2856443

COc1ccc(CC/C=C(\C(=O)O)N(C=O)OCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ATM Q13315 1/20 0.47
GPR52 Q9Y2T5 1/20 0.46
ALDH1A1 P00352 2/20 0.45
ALOX5 P09917 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
FFAR1 O14842 1/20 0.41
BCHE P06276 1/20 0.41
GAA P10253 2/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40

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 0.91 GRIK1 (0.42) KMT2AGPR52ALDH1A1FFAR1TDP1
SCHEMBL4248332 0.86 GPR52 (0.42) MEN1KMT2AGPR52FFAR1L3MBTL1
SCHEMBL2851833 0.83 ABCB1 (0.41) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL2854034 0.78 ALDH1A1 (0.37) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL2849986 0.77 ALDH1A1 (0.42) MEN1KMT2AALDH1A1ALOX5NPC1
SCHEMBL2859326 0.76 ALDH1A1 (0.36) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL4388299 0.72 CYP3A4 (0.44) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL2856440 0.71 ATM (0.50) MEN1KMT2AATMGPR52ALDH1A1
SCHEMBL2856445 0.71 ATM (0.50) MEN1KMT2AATMGPR52ALDH1A1
SCHEMBL579009 0.70 SMN1; SMN2 (0.51) MEN1KMT2AATMGPR52ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651596-B1 NOVEL DERIVATIVES OF 4,4'-DITHIOBIS-(3-AMINOBUTANE-1-SULFONATES) AND COMPOSITIONS COMPRISING THE SAME INST NAT SANTE RECH MED (FR) 2010-01-13 EP disclosed
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 MEN1 2440/4885KMT2A 3390/4885ATM 1309/4885

“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.