SCHEMBL5493028

SCHEMBL5493028

CC(CCCN)C(O)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FDPS P14324 7/20 0.45
PDE3A Q14432 2/20 0.45
GABBR2 O75899 3/20 0.41
GABBR1 Q9UBS5 3/20 0.41
LMNA P02545 3/20 0.39
ADRB3 P13945 1/20 0.39
PDE4D Q08499 1/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
THPO P40225 1/20 0.39
BLM P54132 2/20 0.38
CYP3A4 P08684 1/20 0.37
NFKB1 P19838 1/20 0.37
PMP22 Q01453 1/20 0.37
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL8052588 0.77 FDPS (0.52) FDPS
SCHEMBL16091906 0.71 FDPS (0.52) FDPSLMNATSHRALDH1A1TDP1
SCHEMBL8147759 0.71 FDPS (0.47) FDPSPDE3AGABBR2GABBR1LMNA
SCHEMBL16091918 0.70 LAP3 (0.43) FDPSLMNATSHR
SCHEMBL9243663 0.67 FDPS (0.41) FDPSPDE3AGABBR2GABBR1LMNA
SCHEMBL6674916 0.67 FDPS (0.41) FDPSPDE3AGABBR2GABBR1LMNA
SCHEMBL23378004 0.66 CPB2 (0.33) LMNATSHRBLMNFKB1
SCHEMBL22281781 0.66 CPB2 (0.33) LMNATSHRBLMNFKB1
SCHEMBL5496511 0.66 FDPS (0.50) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL3936724 0.66 FDPS (0.50) FDPSPDE3ALMNAADRB3PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-04-05 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 (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-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CD44, CSGALNACT1 FDPS 4229/4885PDE3A 2085/4885GABBR2 2367/4885

“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.