SCHEMBL5058359

SCHEMBL5058359

O=C(CP(O)(O)=S)NC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.53
HPGD P15428 2/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 2/20 0.52
MMP2 P08253 4/20 0.50
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 3/20 0.50
MMP1 P03956 2/20 0.50
MMP8 P22894 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MMP3 P08254 1/20 0.50
LMNA P02545 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
EPHX2 P34913 2/20 0.48
MAPT P10636 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL5058559 0.82 MMP2 (0.57) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL5494158 0.81 MMP2 (0.55) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL5059557 0.81 EPHX1 (0.53) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL3075216 0.77 EPHX1 (0.68) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL5806430 0.75 EPHX1 (0.61) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL10587847 0.74 ALDH1A1 (0.83) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL11592487 0.74 NPSR1 (0.60) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL879434 0.73 EPHX1 (0.63) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL2096409 0.73 EPHX1 (0.63) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL2089150 0.73 EPHX1 (0.63) EPHX1HPGDKMT2ASMN1; 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 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-1100487-A2 COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH GLYCOSAMINOGLYCAN-ASSOCIATED MOLECULAR INTERACTIONS Neurochem, Inc. (CA) 2001-05-23 EP disclosed
WO-2000006133-A2 COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH GLYCOSAMINOGLYCAN-ASSOCIATED MOLECULAR INTERACTIONS NEUROCHEM, INC. (CA) 2000-02-10 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 EPHX1 1119/4885HPGD 3105/4885KMT2A 3285/4885
US-20060116347-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CSGALNACT1, CD44 EPHX1 1832/4885HPGD 966/4885KMT2A 4378/4885
US-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CD44, CSGALNACT1 EPHX1 2054/4885HPGD 1331/4885KMT2A 4400/4885

“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.