SCHEMBL5948003

SCHEMBL5948003

O=C(O)C(CC[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.53
▸ PTPN1 P18031 11/20 0.52
▸ CDC25B P30305 9/20 0.52
▸ PTPN2 P17706 7/20 0.52
▸ PTPN11 Q06124 6/20 0.52
▸ PTPN6 P29350 5/20 0.52
▸ TACR2 P21452 3/20 0.48
▸ HTR1A P08908 1/20 0.46
▸ CDC25A P30304 1/20 0.45
▸ SSTR1 P30872 1/20 0.44
▸ SSTR2 P30874 1/20 0.44
▸ SSTR4 P31391 1/20 0.44
▸ SSTR3 P32745 1/20 0.44
▸ SSTR5 P35346 1/20 0.44

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
SCHEMBL5948268 1.00 NT5E (0.53) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL5948514 0.93 PTPN1 (0.51) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL10951228 0.84 PTPN1 (0.48) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL21657197 0.83 HTR1A (0.50) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL10945737 0.82 PTPN1 (0.50) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL3898367 0.82 NT5E (0.54) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL15968116 0.82 NT5E (0.54) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL3898371 0.82 NT5E (0.54) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL17766609 0.82 NT5E (0.54) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL10400344 0.81 HTR1A (0.51) NT5EPTPN1CDC25BPTPN2PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NT5E 1926/4885PTPN1 3309/4885CDC25B 90/4885

“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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