SCHEMBL2267141

SCHEMBL2267141

NC(=O)C[C@@H]1[C@H](O)[C@H](O)[C@@H](CO)N1CCCCCCCCCO

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.46
GBA1 P04062 8/20 0.38
FUCA1 P04066 1/20 0.35
GBA2 Q9HCG7 11/20 0.33
GAA P10253 2/20 0.33
UGCG Q16739 1/20 0.33

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
SCHEMBL2270084 0.88 MGAM (0.60) MGAMGBA1GBA2GAAUGCG
SCHEMBL12497891 0.88 MGAM (0.60) MGAMGBA1GBA2GAAUGCG
SCHEMBL2269497 0.86 MGAM (0.43) MGAMGBA1FUCA1GAA
SCHEMBL3267142 0.85 MGAM (0.45) MGAMGBA1GBA2GAAUGCG
SCHEMBL2430840 0.84 MGAM (0.61) MGAMGBA1GBA2GAAUGCG
SCHEMBL2273447 0.84 MGAM (0.69) MGAMGBA1GBA2GAAUGCG
SCHEMBL12497787 0.80 MGAM (0.46) MGAMGBA1FUCA1GBA2GAA
SCHEMBL19557576 0.76 MGAM (0.65) MGAMGBA1FUCA1GBA2GAA
SCHEMBL15593093 0.76 MGAM (0.65) MGAMGBA1FUCA1GBA2GAA
SCHEMBL2270055 0.76 MGAM (0.38) MGAMGBA1FUCA1GBA2GAA

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-20110237538-A1 TREATMENT OF LYSOSOMAL STORAGE DISORDERS AND OTHER PROTEOSTATIC DISEASES SUMMIT CORPORATION PLC (GB) 2011-09-29 US disclosed
US-20110195929-A1 COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS SUMMIT CORPORATION PLC (GB) 2011-08-11 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-20110237538-A1 TREATMENT OF LYSOSOMAL STORAGE DISORDERS AND OTHER PROTEOSTATIC DISEASES GAA, MAN2B1, GBA1 MGAM 36/4885GBA1 3/4885FUCA1 17/4885
US-20110195929-A1 COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS GPI, GALE, HAVCR2 MGAM 43/4885GBA1 18/4885FUCA1 83/4885

“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.