SCHEMBL1170914

SCHEMBL1170914

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 10/20 0.51
▸ PTPN1 P18031 2/20 0.42
▸ CDC25B P30305 2/20 0.42
▸ PTPN2 P17706 1/20 0.42
▸ PTPN6 P29350 1/20 0.42
▸ CDC25A P30304 1/20 0.42
▸ PTPN11 Q06124 1/20 0.42
▸ FAAH O00519 2/20 0.40
▸ CETP P11597 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL1170915 1.00 SELP (0.51) SELPPTPN1CDC25BPTPN2PTPN6
SCHEMBL1170916 1.00 SELP (0.51) SELPPTPN1CDC25BPTPN2PTPN6
SCHEMBL1170785 0.92 SELP (0.56) SELPFAAHCETPTHRBMEN1
SCHEMBL1170905 0.92 SELP (0.58) SELPFAAHCETPTHRBMEN1
SCHEMBL1170902 0.92 SELP (0.58) SELPFAAHCETPTHRBMEN1
SCHEMBL1170900 0.92 SELP (0.58) SELPFAAHCETPTHRBMEN1
SCHEMBL1170783 0.92 SELP (0.56) SELPFAAHCETPTHRBMEN1
SCHEMBL1170786 0.92 SELP (0.56) SELPFAAHCETPTHRBMEN1
SCHEMBL1170806 0.91 SELP (0.53) SELPFAAHCETPTHRBMEN1
SCHEMBL1170807 0.91 SELP (0.53) SELPFAAHCETPTHRBMEN1

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 SELP 4550/4885PTPN1 4777/4885CDC25B 2094/4885

“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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