SCHEMBL5852058

SCHEMBL5852058

O=C(O)/C=C/[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
SLC15A1 P46059 1/20 0.41
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
SLC1A1 P43005 3/20 0.39
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
FOLH1 Q04609 1/20 0.38
MAPK1 P28482 1/20 0.38
SLC1A3 P43003 2/20 0.37
SLC1A2 P43004 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL14429286 0.88 KMT2A (0.43) CA1CA2CA7CA9KMT2A
SCHEMBL5981947 0.84 KMT2A (0.45) CA1CA2CA7CA9KMT2A
SCHEMBL2562479 0.84 CA1 (0.45) CA1CA2CA7CA9KMT2A
SCHEMBL1263178 0.84 CA1 (0.45) CA1CA2CA7CA9KMT2A
SCHEMBL1561831 0.84 CA1 (0.45) CA1CA2CA7CA9KMT2A
SCHEMBL3751041 0.84 CA1 (0.45) CA1CA2CA7CA9KMT2A
SCHEMBL19970649 0.84 CA1 (0.45) CA1CA2CA7CA9KMT2A
SCHEMBL3631853 0.83 HTT (0.43) CA1CA2CA7CA9KMT2A
SCHEMBL5981793 0.82 HTT (0.43) CA1CA2CA7CA9KMT2A
SCHEMBL5981210 0.82 HTT (0.45) CA1CA2CA7CA9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135578-B2 Antiarthritic agents THE SCRIPPS RESEARCH INSTITUTE (US) 2006-11-14 US disclosed
EP-1181274-A4 IMINOCYCLITOL INHIBITORS OF HEXOAMINIDASE AND GLYCOSIDASE SCRIPPS RESEARCH INST (US) 2005-08-17 EP disclosed
US-20040198772-A1 Iminocyclitol inhibitors of hexoaminidase and glycosidase THE SCRIPPS RESEARCH INSTITUTE 2004-10-07 US disclosed
US-6774140-B1 ANTIARTHRITIC AGENTS THE SCRIPPS RESEARCH INSTITUTE 2004-08-10 US disclosed
EP-1181274-A1 IMINOCYCLITOL INHIBITORS OF HEXOAMINIDASE AND GLYCOSIDASE The Scripps Research Institute (US) 2002-02-27 EP disclosed
WO-2000068194-A1 IMINOCYCLITOL INHIBITORS OF HEXOAMINIDASE AND GLYCOSIDASE THE SCRIPPS RESEARCH INSTITUTE (US) 2000-11-16 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-20040198772-A1 Iminocyclitol inhibitors of hexoaminidase and glycosidase ENGASE, HEXD, MGAM CA1 766/4885CA2 847/4885CA7 628/4885

“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.