SCHEMBL5058339

SCHEMBL5058339

C[C@H](NC(=O)CP(O)(O)=S)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 1/20 0.40
FAAH O00519 3/20 0.39
LTA4H P09960 2/20 0.39
MME P08473 2/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
ACE P12821 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC6A5 Q9Y345 1/20 0.37
RAB9A P51151 1/20 0.34

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
SCHEMBL5058464 0.82 CA2 (0.56) ALDH1A1KDM4ETSHRSMN1; SMN2MAPT
SCHEMBL5058336 0.78 LTA4H (0.41) ALDH1A1KDM4ETSHRSMN1; SMN2MAPT
SCHEMBL5058337 0.74 ALDH1A1 (0.41) ALDH1A1KDM4ETSHRSMN1; SMN2MAPT
SCHEMBL10076082 0.72 ALDH1A1 (0.50) ALDH1A1KDM4ETSHRSMN1; SMN2MAPT
SCHEMBL4811341 0.72 SMN1; SMN2 (0.47) ALDH1A1KDM4ETSHRSMN1; SMN2MAPT
SCHEMBL964581 0.72 SMN1; SMN2 (0.47) ALDH1A1KDM4ETSHRSMN1; SMN2MAPT
SCHEMBL4811735 0.72 SMN1; SMN2 (0.47) ALDH1A1KDM4ETSHRSMN1; SMN2MAPT
SCHEMBL4189346 0.72 ALDH1A1 (0.50) ALDH1A1KDM4ETSHRSMN1; SMN2MAPT
SCHEMBL6309640 0.72 SMN1; SMN2 (0.47) ALDH1A1KDM4ETSHRSMN1; SMN2MAPT
SCHEMBL1476947 0.72 SMN1; SMN2 (0.47) ALDH1A1KDM4ETSHRSMN1; SMN2MAPT

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 10 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-20080317834-A1 Compounds and methods for modulating cerebral amyloid angiopathy NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-12-25 US disclosed
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-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-04-05 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
EP-1077690-A1 USE OF AMYLOID INHIBITORS FOR MODULATING NEURONAL CELL DEATH Neurochem, Inc. (CA) 2001-02-28 EP disclosed
WO-1999059571-A1 USE OF AMYLOID INHIBITORS FOR MODULATING NEURONAL CELL DEATH NEUROCHEM, INC. (US) 1999-11-25 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 (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 ALDH1A1 3580/4885KDM4E 3395/4885TSHR 4800/4885
US-20060116347-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CSGALNACT1, CD44 ALDH1A1 1880/4885KDM4E 4522/4885TSHR 3280/4885
US-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CD44, CSGALNACT1 ALDH1A1 2097/4885KDM4E 4537/4885TSHR 2787/4885

“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.