SCHEMBL4288573

SCHEMBL4288573

O=C(OC[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C(O)O1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
PPM1B O75688 1/20 0.42
LGALS9 O00182 1/20 0.42
LGALS1 P09382 1/20 0.42
LGALS3 P17931 1/20 0.42
LGALS7; LGALS7B P47929 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL14404536 1.00 NPC1 (0.46) NPC1PPM1BLGALS9LGALS1LGALS3
SCHEMBL4287430 1.00 NPC1 (0.46) NPC1PPM1BLGALS9LGALS1LGALS3
SCHEMBL23895298 0.88 NPC1 (0.46) NPC1PPM1BMEN1KMT2ALMNA
SCHEMBL14404534 0.86 NPC1 (0.46) NPC1PPM1BMEN1KMT2ALMNA
SCHEMBL8583044 0.85 NPC1 (0.45) NPC1PPM1BMEN1KMT2ALMNA
SCHEMBL1521266 0.84 NPC1 (0.46) NPC1PPM1BMEN1KMT2ALMNA
SCHEMBL1521263 0.84 NPC1 (0.46) NPC1PPM1BMEN1KMT2ALMNA
SCHEMBL1521261 0.84 NPC1 (0.46) NPC1PPM1BMEN1KMT2ALMNA
SCHEMBL14404532 0.84 NPC1 (0.46) NPC1PPM1BMEN1KMT2ALMNA
SCHEMBL8669182 0.83 NPC1 (0.46) NPC1PPM1BPOLB

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-20090137499-A1 BENZYLPHENYL GLUCOPYRANOSIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-05-28 US disclosed
EP-2048150-A1 BENZYL PHENYL GLUCOPYRANOSIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-04-15 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-20090137499-A1 BENZYLPHENYL GLUCOPYRANOSIDE DERIVATIVE SLC5A1, SLC5A2, SLC2A1 NPC1 153/4885PPM1B 3001/4885LGALS9 969/4885

“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.