SCHEMBL1171033

SCHEMBL1171033

CCCCCCCCCCCCC=C[C@@H](F)[C@H](C[C@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 8/20 0.58
▸ FAAH O00519 4/20 0.49
▸ EPHX2 P34913 2/20 0.43
▸ LPAR1 Q92633 4/20 0.42
▸ LPAR3 Q9UBY5 2/20 0.42
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41

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
SCHEMBL1170902 0.92 SELP (0.58) SELPFAAH
SCHEMBL1170900 0.92 SELP (0.58) SELPFAAH
SCHEMBL1170905 0.92 SELP (0.58) SELPFAAH
SCHEMBL1170783 0.90 SELP (0.56) SELPFAAH
SCHEMBL1170786 0.90 SELP (0.56) SELPFAAH
SCHEMBL1170785 0.90 SELP (0.56) SELPFAAH
SCHEMBL1170975 0.89 PTPN1 (0.50) SELPFAAH
SCHEMBL1170807 0.87 SELP (0.53) SELPFAAH
SCHEMBL1170806 0.87 SELP (0.53) SELPFAAH
SCHEMBL1170808 0.87 SELP (0.53) SELPFAAH

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 5 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
WO-2008047249-A9 ALPHA-GALACTOCERAMIDE ANALOGS, THEIR METHODS OF MANUFACTURE, INTERMEDIATE COMPOUNDS USEFUL IN THESE METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-12-23 — — WO disclosed
EP-2099813-A2 ALPHA-GALACTOCERAMIDE ANALOGS, THEIR METHODS OF MANUFACTURE, INTERMEDIATE COMPOUNDS USEFUL IN THESE METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Centre National de la Recherche Scientifique (FR) 2009-09-16 — — EP disclosed
WO-2008047249-A2 ALPHA-GALACTOCERAMIDE ANALOGS, THEIR METHODS OF MANUFACTURE, INTERMEDIATE COMPOUNDS USEFUL IN THESE METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-04-24 — — WO 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 4550/4885FAAH 480/4885EPHX2 914/4885

“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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