SCHEMBL2856431

SCHEMBL2856431

O=C(O)[C@H]1N[C@@H]1CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
HIF1A Q16665 1/20 0.50
KEAP1 Q14145 1/20 0.44
GLB1 P16278 1/20 0.42
GBA2 Q9HCG7 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPC1 O15118 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
HDAC3 O15379 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2851779 1.00 KDM4E (0.50) KDM4EMAPTHIF1AKEAP1GLB1
SCHEMBL2852546 1.00 KDM4E (0.50) KDM4EMAPTHIF1AKEAP1GLB1
SCHEMBL2855319 1.00 KDM4E (0.50) KDM4EMAPTHIF1AKEAP1GLB1
SCHEMBL28312213 1.00 KDM4E (0.50) KDM4EMAPTHIF1AKEAP1GLB1
SCHEMBL28627351 1.00 KDM4E (0.50) KDM4EMAPTHIF1AKEAP1GLB1
SCHEMBL13699314 0.79 L3MBTL1 (0.46) MAPTTDP1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL8296855 0.79 L3MBTL1 (0.46) MAPTTDP1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL13513384 0.79 L3MBTL1 (0.46) MAPTTDP1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL13699389 0.79 L3MBTL1 (0.46) MAPTTDP1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL25894404 0.79 L3MBTL1 (0.46) MAPTTDP1MAPK1SMN1; SMN2ALDH1A1

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 KDM4E 1855/4885MAPT 3373/4885HIF1A 345/4885

“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.