SCHEMBL6154030

SCHEMBL6154030

O=C(NC[C@H](O)CO)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
BACE1 P56817 1/20 0.58
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
GAA P10253 2/20 0.57
PRMT5 O14744 3/20 0.52
WDR77 Q9BQA1 1/20 0.52
EPHX2 P34913 1/20 0.50
CNR2 P34972 1/20 0.49
EGFR P00533 1/20 0.48
SRC P12931 1/20 0.48
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
PRSS1 P07477 1/20 0.46
CTSG P08311 1/20 0.46

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
SCHEMBL3465056 1.00 NPC1 (0.64) NPC1RAB9ASMN1; SMN2BACE1KDM4E
Hydrochloric Acid SCHEMBL27854881 0.98 NPC1 (0.62) NPC1RAB9ASMN1; SMN2BACE1KDM4E
SCHEMBL21211563 0.87 GAA (0.64) NPC1RAB9ASMN1; SMN2BACE1KDM4E
SCHEMBL9844761 0.86 TP53 (0.57) NPC1RAB9ASMN1; SMN2BACE1KDM4E
SCHEMBL29280658 0.84 NPC1 (0.62) NPC1RAB9ASMN1; SMN2BACE1GAA
SCHEMBL9830287 0.84 NPC1 (0.62) NPC1RAB9ASMN1; SMN2BACE1ALDH1A1
SCHEMBL28341767 0.84 NPC1 (0.62) NPC1RAB9ASMN1; SMN2BACE1ALDH1A1
SCHEMBL6153995 0.84 NPC1 (0.62) NPC1RAB9ASMN1; SMN2BACE1GAA
SCHEMBL6153998 0.84 NPC1 (0.62) NPC1RAB9ASMN1; SMN2BACE1GAA
SCHEMBL14790184 0.83 GAA (0.58) NPC1RAB9ASMN1; SMN2BACE1KDM4E

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-20050215801-A1 Process for preparation of optically active 1-substituted amino-2,3-epoxypropanes, intermediates for synthesis thereof and process for preparation of the intermediates KANEKA CORPORATION (JP) 2005-09-29 US disclosed
EP-1553093-A1 PROCESS FOR PREPARATION OF OPTICALLY ACTIVE 1-SUBSTITUTED AMINO-2,3-EPOXYPROPANES, INTERMEDIATES FOR THE SYNTHESIS THEREOF AND PROCESS FOR PREPARATION OF THE INTERMEDIATES KANEKA CORPORATION (JP) 2005-07-13 EP 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-20050215801-A1 Process for preparation of optically active 1-substituted amino-2,3-epoxypropanes, intermediates for synthesis thereof and process for preparation of the intermediates OXER1, RCC2, CBR3 NPC1 4434/4885RAB9A 2449/4885SMN1; SMN2 4620/4885

“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.