SCHEMBL1035610

SCHEMBL1035610

CCCCN(CCCC)c1cccc2c(S(=O)(=O)NCC[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cccc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
B4GALT1 P15291 1/20 0.53
GBA1 P04062 5/20 0.49
GLB1 P16278 4/20 0.48
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FUCA1 P04066 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
SLC5A1 P13866 1/20 0.39

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
SCHEMBL1035609 1.00 B4GALT1 (0.53) B4GALT1GBA1GLB1MEN1TP53
SCHEMBL1034680 0.86 B4GALT1 (0.62) B4GALT1GBA1GLB1FUCA1HDAC4
SCHEMBL1034677 0.86 B4GALT1 (0.62) B4GALT1GBA1GLB1FUCA1HDAC4
SCHEMBL1034127 0.86 B4GALT1 (0.62) B4GALT1GBA1GLB1FUCA1HDAC4
SCHEMBL1034124 0.86 B4GALT1 (0.62) B4GALT1GBA1GLB1FUCA1HDAC4
SCHEMBL1077400 0.82 GBA1 (0.65) B4GALT1GBA1GLB1FUCA1HDAC4
SCHEMBL1031119 0.79 GBA1 (0.54) B4GALT1GBA1GLB1CYP1A2CYP3A4
SCHEMBL1031118 0.79 GBA1 (0.54) B4GALT1GBA1GLB1CYP1A2CYP3A4
SCHEMBL12599988 0.69 TDP1 (0.46) MEN1TP53CYP1A2CYP3A4TSHR
SCHEMBL10002024 0.68 HDAC4 (0.67) GBA1GLB1MEN1TP53CYP1A2

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
EP-2276773-A2 COMPOUNDS WITH GLYCIDIC STRUCTURE ACTIVE IN THE THERAPY OF SYSTEMIC AND LOCAL INFLAMMATION La Ferla, Barbara (IT) 2011-01-26 EP 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 B4GALT1 162/4885GBA1 272/4885GLB1 857/4885

“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.