SCHEMBL13701516

SCHEMBL13701516

CCCCCCCCCCCCCC[C@@H](O)[C@@H](OC(C)C)[C@H](COC[C@H](O)[C@H](COCc1ccccc1)OC(C)C)N=[N+]=[N-]

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SGPL1 O95470 4/20 0.40
CSNK1E P49674 1/20 0.38
KMT2A Q03164 1/20 0.36
CETP P11597 3/20 0.33
CA1 P00915 3/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
TACR1 P25103 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
SCHEMBL13701506 1.00 SGPL1 (0.40) SGPL1CSNK1EKMT2ACETPCA1
SCHEMBL13555290 0.90 CSNK1E (0.44) SGPL1CSNK1E
SCHEMBL13701507 0.90 CSNK1E (0.44) SGPL1CSNK1E
SCHEMBL13701505 0.85 SGPL1 (0.39) SGPL1CSNK1EKMT2ACA1CA2
SCHEMBL13555284 0.83 SGPL1 (0.48) SGPL1CETP
SCHEMBL13555288 0.77 CSNK1E (0.42) SGPL1CSNK1E
SCHEMBL8965049 0.73 CSNK1E (0.52) CSNK1EKMT2ACETPCA1CA2
SCHEMBL13701509 0.73 BCHE (0.34) SGPL1CSNK1E
SCHEMBL13555280 0.72 SGPL1 (0.52) SGPL1KMT2ACETP
SCHEMBL15979267 0.72 KMT2A (0.47) KMT2ACA1CA2CA7CA9

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-8039670-B2 Analogs of alpha galactosyceramide and uses thereof LUDWIG INSTITUTE FOR CANCER RESEARCH (US) 2011-10-18 US disclosed
US-20090239813-A1 Analogs of Alpha Galactosyceramide and Uses thereof LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2009-09-24 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-20090239813-A1 Analogs of Alpha Galactosyceramide and Uses thereof SGMS1, CERS2, SGMS2 SGPL1 174/4885CSNK1E 1149/4885KMT2A 4403/4885

“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.