SCHEMBL2852582

SCHEMBL2852582

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
METAP2 P50579 1/20 0.47
METAP1 P53582 1/20 0.47
CNR2 P34972 1/20 0.47
TSHR P16473 1/20 0.47
KEAP1 Q14145 1/20 0.47
DPP4 P27487 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP12 P39900 1/20 0.46
MMP13 P45452 1/20 0.46
MMP14 P50281 1/20 0.46
ANPEP P15144 2/20 0.46
ERAP1 Q9NZ08 2/20 0.46
ERAP2 Q6P179 1/20 0.46
CYP1A2 P05177 1/20 0.45
MME P08473 1/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL2854668 1.00 PPARG (0.49) PPARGPPARAMETAP2METAP1CNR2
Cadaverine Tartrate SCHEMBL3721240 0.83 FFAR1 (0.56) PPARGPPARATSHRKEAP1CYP1A2
SCHEMBL30146580 0.83 TDP1 (0.52) CNR2TSHRKEAP1ANPEPERAP1
SCHEMBL30146557 0.83 TDP1 (0.52) CNR2TSHRKEAP1ANPEPERAP1
SCHEMBL7268763 0.83 TDP1 (0.52) CNR2TSHRKEAP1ANPEPERAP1
SCHEMBL16201777 0.82 CNR2 (0.46) PPARGPPARACNR2TSHRKEAP1
SCHEMBL27289799 0.82 CNR2 (0.46) PPARGPPARACNR2TSHRKEAP1
SCHEMBL5848452 0.81 METAP2 (0.65) PPARGPPARAMETAP2METAP1ANPEP
SCHEMBL5848773 0.81 METAP2 (0.65) PPARGPPARAMETAP2METAP1ANPEP
SCHEMBL3841264 0.81 METAP2 (0.65) PPARGPPARAMETAP2METAP1ANPEP

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 PPARG 1265/4885PPARA 1294/4885METAP2 1713/4885

“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.