SCHEMBL5392098

SCHEMBL5392098

O=C(O)C(CCNC(=O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IDUA P35475 1/20 0.33
▸ ADORA3 P0DMS8 2/20 0.32
▸ METTL3 Q86U44 1/20 0.31
▸ CAPN9 O14815 1/20 0.31
▸ CAPN1 P07384 1/20 0.31
▸ CTSB P07858 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ PYGB P11216 1/20 0.30

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
SCHEMBL14519956 1.00 IDUA (0.33) IDUAADORA3METTL3CAPN9CAPN1
SCHEMBL5810720 0.88 PYGB (0.41) IDUAPYGB
SCHEMBL12110848 0.84 ADORA3 (0.43) ADORA3CAPN9CAPN1CTSBMAPK1
SCHEMBL31429684 0.76 GFPT1 (0.36) IDUA
SCHEMBL14189087 0.74 ADORA2A (0.41) ADORA3MAPK1
SCHEMBL20873287 0.73 CYP1A2 (0.34) —
SCHEMBL23740489 0.72 EPHX2 (0.33) METTL3
SCHEMBL13944665 0.72 EPHX2 (0.33) METTL3
SCHEMBL14172403 0.72 EPHX2 (0.33) METTL3
SCHEMBL26292937 0.72 HSP90AA1 (0.30) ADORA3

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-7208611-B2 Platinum-containing compounds exhibiting cytostatic activity, synthesis and methods of use XENOPORT, INC. (US) 2007-04-24 — — US disclosed
US-20060205677-A1 Platinum-containing compounds exhibiting cytostatic activity, synthesis and methods of use XENOPORT, INC. 2006-09-14 — — 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-20060205677-A1 Platinum-containing compounds exhibiting cytostatic activity, synthesis and methods of use TYMP, TOP1, TOP2A IDUA 2701/4885ADORA3 3715/4885METTL3 4728/4885

“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.

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