SCHEMBL5494071

SCHEMBL5494071

CCCCCCCCCCC[C@H](N)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PYGB P11216 7/20 0.47
GAA P10253 1/20 0.46
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
CETP P11597 1/20 0.42
EPHX2 P34913 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL5494068 1.00 PYGB (0.47) PYGBGAACA12CA1CA2
SCHEMBL7123019 0.82 MAPK1 (0.57) PYGBGAACA1CA2CA9
SCHEMBL5498712 0.82 MAPK1 (0.57) PYGBGAACA1CA2CA9
SCHEMBL5498717 0.82 MAPK1 (0.57) PYGBGAACA1CA2CA9
SCHEMBL5490050 0.82 PYGB (0.44) PYGBGAACA12CA1CA2
SCHEMBL7551748 0.80 PYGB (0.54) PYGBGAACA12CA1CA2
SCHEMBL8584488 0.78 PYGB (0.49) PYGBGAAEPHX2
SCHEMBL8587178 0.78 PYGB (0.49) PYGBGAAEPHX2
SCHEMBL10528729 0.77 CETP (0.44) PYGBCETPMAPK1
SCHEMBL10529704 0.77 CETP (0.44) PYGBCETPMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312194-B2 Delivery systems ALCHEMIA PTY. LTD. (AU) 2007-12-25 US disclosed
US-20040176281-A1 Delivery systems ALCHEMIA LIMITED (AU) 2004-09-09 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-20040176281-A1 Delivery systems MTX2, SGMS2, SGMS1 PYGB 3922/4885GAA 229/4885CA12 775/4885

“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.