SCHEMBL14958607

SCHEMBL14958607

COC1OC(CN=[N+]=[N-])C(C)C(C)C1C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 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
SCHEMBL14769305 0.83 GBA1 (0.39) GBA1
SCHEMBL18349328 0.82 GBA1 (0.38) GBA1
SCHEMBL16187681 0.82 GBA1 (0.38) GBA1
SCHEMBL18842858 0.80 TK1 (0.34) GBA1
SCHEMBL14477759 0.80 OGA (0.35) GBA1
SCHEMBL15756359 0.78 CYP2D6 (0.35)
SCHEMBL18220481 0.78 CYP2D6 (0.35)
SCHEMBL26285165 0.76 SSTR1 (0.32)
SCHEMBL14477755 0.75 GBA1 (0.33) GBA1
SCHEMBL14958608 0.75 GBA1 (0.33) GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045512-B2 6″-amino-6″-deoxygalactosylceramides THE SCRIPPS RESEARCH INSTITUTE (US) 2015-06-02 US disclosed
US-20140037693-A1 6\"-AMINO-6\"-DEOXYGALACTOSYLCERAMIDES THE SCRIPPS RESEARCH INSTITUTE (US) 2014-02-06 US disclosed
US-8445272-B2 Method of stimulating NKT with 6″-amino-6″-deoxygalactosylceramides THE SCRIPPS RESEARCH INSTITUTE (US) 2013-05-21 US disclosed
US-20120028915-A1 6\"-AMINO-6\"-DEOXYGALACTOSYLCERAMIDES THE SCRIPPS RESEACH INSTITUTE (US) 2012-02-02 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 (2 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-20120028915-A1 6\"-AMINO-6\"-DEOXYGALACTOSYLCERAMIDES FUT6, GALNT6, ST6GAL1 GBA1 7/4885
US-20140037693-A1 6\"-AMINO-6\"-DEOXYGALACTOSYLCERAMIDES FUT6, GALNT6, ST6GAL1 GBA1 7/4885

“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.