SCHEMBL10314513

SCHEMBL10314513

C=C[C@@H](F)[C@H](CO[C@H]1OC(COCCCC)[C@H](OCCCC)C(OCCCC)C1OCCCC)NC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 7/20 0.36
▸ CDC25B P30305 7/20 0.36
▸ PTPN2 P17706 5/20 0.36
▸ CDC25A P30304 3/20 0.36
▸ PTPN6 P29350 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ SELP P16109 4/20 0.33
▸ TNF P01375 1/20 0.33
▸ CTSK P43235 6/20 0.32
▸ GJB2 P29033 1/20 0.31

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
SCHEMBL10314508 0.90 SELP (0.36) PTPN1CDC25BPTPN2CDC25APTPN6
SCHEMBL10314531 0.85 SELP (0.39) PTPN1CDC25BPTPN2CDC25APTPN6
SCHEMBL14223578 0.85 PTPN1 (0.37) PTPN1CDC25BPTPN2CDC25APTPN6
SCHEMBL10314514 0.84 SELP (0.44) PTPN1CDC25BPTPN2CDC25APTPN6
SCHEMBL10314533 0.83 SELP (0.39) PTPN1CDC25BPTPN2CDC25APTPN6
SCHEMBL10314512 0.83 PTPN1 (0.34) PTPN1CDC25BPTPN2CDC25APTPN6
SCHEMBL10314144 0.82 PTPN1 (0.54) PTPN1CDC25BPTPN2CDC25APTPN6
SCHEMBL16160564 0.82 PTPN1 (0.38) PTPN1CDC25BPTPN2CDC25APTPN6
SCHEMBL16160561 0.82 PTPN1 (0.38) PTPN1CDC25BPTPN2CDC25APTPN6
SCHEMBL10314510 0.80 PTPN1 (0.44) PTPN1CDC25BPTPN2CDC25APTPN6

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 2094/4885PTPN2 4834/4885

“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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