SCHEMBL5058501

SCHEMBL5058501

O=C(O)[C@H]1CN(CC=CP(O)(O)=S)CCN1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.78
MAPT P10636 1/20 0.57
GRIN2D O15399 5/20 0.52
GRIN3B O60391 5/20 0.52
GRIN1 Q05586 5/20 0.52
GRIN2A Q12879 5/20 0.52
GRIN2B Q13224 5/20 0.52
GRIN2C Q14957 5/20 0.52
GRIN3A Q8TCU5 5/20 0.52
THRB P10828 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52
LMNA P02545 1/20 0.52
RECQL P46063 1/20 0.52

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
Midafotel SCHEMBL974897 0.87 ALOX15 (1.00) ALOX15MAPTGRIN2DGRIN3BGRIN1
Midafotel SCHEMBL1061150 0.87 ALOX15 (1.00) ALOX15MAPTGRIN2DGRIN3BGRIN1
Midafotel SCHEMBL1061155 0.87 ALOX15 (1.00) ALOX15MAPTGRIN2DGRIN3BGRIN1
Midafotel SCHEMBL726553 0.87 ALOX15 (1.00) ALOX15MAPTGRIN2DGRIN3BGRIN1
SCHEMBL5058496 0.85 ALOX15 (0.80) ALOX15MAPTGRIN2DGRIN3BGRIN1
SCHEMBL5058498 0.82 ALOX15 (0.74) ALOX15MAPTGRIN2DGRIN3BGRIN1
SCHEMBL8828049 0.80 ALOX15 (0.71) ALOX15MAPTGRIN2DGRIN3BGRIN1
SCHEMBL20694120 0.80 ALOX15 (0.68) ALOX15MAPTGRIN2DGRIN3BGRIN1
SCHEMBL9677431 0.78 ALOX15 (0.69) ALOX15MAPTGRIN2DGRIN3BGRIN1
SCHEMBL11501479 0.76 ALOX15 (0.62) ALOX15MAPTGRIN2DGRIN3BGRIN1

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-20080317834-A1 Compounds and methods for modulating cerebral amyloid angiopathy NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-12-25 US disclosed
US-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-04-05 US disclosed
US-20060116347-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions KIACTA SARL (CH) 2006-06-01 US disclosed
US-6670399-B2 Contacting a blood vessel wall cell with an A beta 40 inhibitor, such that cerebral amyloid angiopathy is inhibited NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2003-12-30 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 (3 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-20080317834-A1 Compounds and methods for modulating cerebral amyloid angiopathy APP, PYGB, MAPT ALOX15 1106/4885MAPT 3/4885GRIN2D 2278/4885
US-20060116347-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CSGALNACT1, CD44 ALOX15 1554/4885MAPT 3991/4885GRIN2D 2206/4885
US-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CD44, CSGALNACT1 ALOX15 2036/4885MAPT 3743/4885GRIN2D 2283/4885

“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.