SCHEMBL20023093

SCHEMBL20023093

CCOc1ccc(C(=O)CCCCC(=O)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.59
EGFR P00533 5/20 0.52
GAA P10253 2/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
MAOB P27338 1/20 0.47
DPP4 P27487 1/20 0.46
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
TP53 P04637 1/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45

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
SCHEMBL20023045 0.93 NPC1 (0.55) NPC1EGFRGAARAB9ASMN1; SMN2
SCHEMBL20023061 0.88 NPC1 (0.62) NPC1EGFRRAB9AL3MBTL1MAPT
SCHEMBL20023105 0.87 HDAC3 (0.50) NPC1L3MBTL1MAPTALDH1A1
SCHEMBL20023062 0.86 NPC1 (0.60) NPC1EGFRRAB9AL3MBTL1MAPT
SCHEMBL20023053 0.86 NPC1 (0.60) NPC1EGFRRAB9AL3MBTL1MAPT
SCHEMBL20023032 0.86 TDP1 (0.58) NPC1RAB9AL3MBTL1MAPTALDH1A1
SCHEMBL20023091 0.85 PDE4B (0.63) NPC1EGFRRAB9AL3MBTL1MAPT
SCHEMBL20023077 0.84 EGFR (0.45) NPC1EGFRRAB9AL3MBTL1MAPT
SCHEMBL20023036 0.84 TDP1 (0.61) NPC1RAB9AL3MBTL1MAPTALDH1A1
SCHEMBL20023060 0.84 ERCC5 (0.50) NPC1EGFRRAB9ASMN1; SMN2DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594563-B1 2-acylaminopropanol-type glucosylceramide synthase inhibitors GENZYME CORP (US) 2018-07-18 EP disclosed
US-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GENZYME CORPORATION 2018-04-05 US disclosed
US-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GENZYME CORPORATION 2018-04-05 US 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-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors ASAH2, GBA1, GAA NPC1 254/4885EGFR 1203/4885GAA 3/4885

“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.