SCHEMBL10314149

SCHEMBL10314149

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

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 11/20 0.49
▸ CDC25B P30305 9/20 0.49
▸ SELP P16109 3/20 0.48
▸ PTPN2 P17706 6/20 0.46
▸ PTPN6 P29350 5/20 0.46
▸ PTPN11 Q06124 5/20 0.46
▸ NT5E P21589 1/20 0.46
▸ CDC25A P30304 1/20 0.44
▸ TACR2 P21452 1/20 0.42

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
SCHEMBL10314131 0.87 PTPN1 (0.54) PTPN1CDC25BPTPN2PTPN6PTPN11
SCHEMBL10314126 0.87 PTPN1 (0.54) PTPN1CDC25BPTPN2PTPN6PTPN11
SCHEMBL12869084 0.87 PTPN1 (0.54) PTPN1CDC25BPTPN2PTPN6PTPN11
SCHEMBL10314145 0.87 SELP (0.41) PTPN1CDC25BSELPPTPN2PTPN6
SCHEMBL10314146 0.85 SELP (0.52) PTPN1CDC25BSELPPTPN2PTPN6
SCHEMBL1171027 0.80 SELP (0.51) PTPN1CDC25BSELPPTPN2PTPN6
SCHEMBL4301432 0.80 SELP (0.51) PTPN1CDC25BSELPPTPN2PTPN6
SCHEMBL10314148 0.79 PTPN1 (0.48) PTPN1CDC25BSELPPTPN2PTPN6
SCHEMBL10314144 0.79 PTPN1 (0.54) PTPN1CDC25BPTPN2PTPN6PTPN11
SCHEMBL21915005 0.79 SELP (0.43) PTPN1CDC25BSELPPTPN2PTPN6

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-8211859-B2 α-galactoceramide analogs, their methods of manufacture, intermediate compounds useful in these methods, and pharmaceutical compositions containing them CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-07-03 — — US disclosed
US-20110028411-A1 ALPHA-GALACTOCERAMIDE ANALOGS, THEIR METHODS OF MANUFACTURE, INTERMEDIATE COMPOUNDS USEFUL IN THESE METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CENTRE NATIONAL DE LA RECHERCHE SCIENTIFQUE (FR) 2011-02-03 — — 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-20110028411-A1 ALPHA-GALACTOCERAMIDE ANALOGS, THEIR METHODS OF MANUFACTURE, INTERMEDIATE COMPOUNDS USEFUL IN THESE METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GALE, GALNT14, GALC PTPN1 4777/4885CDC25B 2094/4885SELP 4550/4885

“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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