SCHEMBL1077400

SCHEMBL1077400

CN(C)c1cccc2c(S(=O)(=O)NCCCC[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cccc12

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 5/20 0.65
GLB1 P16278 4/20 0.65
B4GALT1 P15291 1/20 0.64
HDAC4 P56524 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
FUCA1 P04066 1/20 0.54

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
SCHEMBL1034127 0.93 B4GALT1 (0.62) GBA1GLB1B4GALT1HDAC4HDAC10
SCHEMBL1034680 0.93 B4GALT1 (0.62) GBA1GLB1B4GALT1HDAC4HDAC10
SCHEMBL1034677 0.93 B4GALT1 (0.62) GBA1GLB1B4GALT1HDAC4HDAC10
SCHEMBL1034124 0.93 B4GALT1 (0.62) GBA1GLB1B4GALT1HDAC4HDAC10
SCHEMBL1035610 0.82 B4GALT1 (0.53) GBA1GLB1B4GALT1HDAC4HDAC10
SCHEMBL1035609 0.82 B4GALT1 (0.53) GBA1GLB1B4GALT1HDAC4HDAC10
SCHEMBL4139459 0.80 HDAC4 (0.75) GBA1GLB1HDAC4HDAC10HDAC6
SCHEMBL4142506 0.79 HDAC4 (0.77) GBA1GLB1HDAC4HDAC10HDAC6
SCHEMBL4782146 0.78 HDAC4 (0.69) GBA1GLB1HDAC4HDAC10HDAC6
SCHEMBL4126957 0.78 HDAC4 (0.71) GBA1GLB1HDAC4HDAC10HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112184-A1 COMPOUNDS WITH GLYCIDIC STRUCTURE ACTIVE IN THE THERAPY OF SYSTEMIC AND LOCAL INFLAMMATION NICOTRA, FRANCESCO (IT) 2011-05-12 US claimed
EP-2276773-A2 COMPOUNDS WITH GLYCIDIC STRUCTURE ACTIVE IN THE THERAPY OF SYSTEMIC AND LOCAL INFLAMMATION La Ferla, Barbara (IT) 2011-01-26 EP claimed
WO-2009135673-A2 COMPOUNDS WITH GLYCIDIC STRUCTURE ACTIVE IN THE THERAPY OF SYSTEMIC LA FERLA BARBARA (IT) 2009-11-12 WO claimed
US-20110112184-A1 COMPOUNDS WITH GLYCIDIC STRUCTURE ACTIVE IN THE THERAPY OF SYSTEMIC AND LOCAL INFLAMMATION NICOTRA, FRANCESCO (IT) 2011-05-12 US disclosed
US-20110112184-A1 COMPOUNDS WITH GLYCIDIC STRUCTURE ACTIVE IN THE THERAPY OF SYSTEMIC AND LOCAL INFLAMMATION NICOTRA, FRANCESCO (IT) 2011-05-12 US disclosed
WO-2009135673-A2 COMPOUNDS WITH GLYCIDIC STRUCTURE ACTIVE IN THE THERAPY OF SYSTEMIC LA FERLA BARBARA (IT) 2009-11-12 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-20110112184-A1 COMPOUNDS WITH GLYCIDIC STRUCTURE ACTIVE IN THE THERAPY OF SYSTEMIC AND LOCAL INFLAMMATION C9, CCR10, CA9 GBA1 272/4885GLB1 857/4885B4GALT1 162/4885

“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.