SCHEMBL7906084

SCHEMBL7906084

O=CNC(=O)c1ccc(OCCO)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.54
▸ PLK1 P53350 2/20 0.49
▸ NR1I2 O75469 1/20 0.49
▸ NPC1 O15118 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MMP1 P03956 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ HPGD P15428 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
SCHEMBL7919709 0.85 MAPT (0.57) GAAPLK1NPC1MAPTALDH1A1
SCHEMBL12966676 0.85 PLK1 (0.47) PLK1NPC1MAPTL3MBTL1CYP3A4
SCHEMBL12966671 0.83 NPC1 (0.54) PLK1NPC1MAPTALDH1A1MEN1
SCHEMBL24386375 0.82 GAA (0.49) GAANR1I2NPC1MAPTALDH1A1
SCHEMBL7919711 0.81 NPC1 (0.52) PLK1NPC1MAPTMMP1MEN1
SCHEMBL7915808 0.81 PLK1 (0.67) PLK1NPC1MAPTALDH1A1L3MBTL1
SCHEMBL20424310 0.81 GAA (0.59) GAAPLK1NR1I2NPC1MAPT
SCHEMBL7906086 0.80 PLK1 (0.54) GAAPLK1NPC1MAPTALDH1A1
SCHEMBL4751615 0.79 PLK1 (0.75) GAAPLK1NR1I2NPC1MAPT
SCHEMBL5180990 0.78 MAPT (0.64) GAANPC1MAPTALDH1A1MEN1

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-20120252741-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BIOMARIN PHARMACEUTICAL INC. (US) 2012-10-04 — — US disclosed
WO-2010048340-A2 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-04-29 — — 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-20120252741-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS ASNS, DNPEP, ALG8 GAA 163/4885PLK1 3708/4885NR1I2 4181/4885

“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.

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