SCHEMBL20023045

SCHEMBL20023045

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.55
▸ EGFR P00533 6/20 0.54
▸ GAA P10253 3/20 0.52
▸ RAB9A P51151 4/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ MAOB P27338 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ NR4A1 P22736 1/20 0.48
▸ NR4A2 P43354 1/20 0.48
▸ NR4A3 Q92570 1/20 0.48
▸ TP53 P04637 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ MRGPRX4 Q96LA9 1/20 0.47

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
SCHEMBL20023093 0.93 NPC1 (0.59) NPC1EGFRGAARAB9ASMN1; SMN2
SCHEMBL20023072 0.90 L3MBTL1 (0.57) NPC1EGFRGAARAB9ASMN1; SMN2
SCHEMBL20023080 0.87 NPC1 (0.65) NPC1EGFRRAB9ASMN1; SMN2MAPT
SCHEMBL20023076 0.85 MMP1 (0.56) NPC1EGFRGAARAB9ASMN1; SMN2
SCHEMBL20023088 0.85 EGFR (0.52) NPC1EGFRGAARAB9ASMN1; SMN2
SCHEMBL20023105 0.84 HDAC3 (0.50) NPC1MAPTALDH1A1
SCHEMBL20023094 0.84 EGFR (0.47) NPC1EGFRRAB9AMAPTALDH1A1
SCHEMBL20023082 0.84 RAB9A (0.57) NPC1EGFRGAARAB9ASMN1; SMN2
SCHEMBL20023137 0.84 NPC1 (0.60) NPC1EGFRRAB9ASMN1; SMN2MAPT
SCHEMBL20023075 0.83 L3MBTL1 (0.58) NPC1EGFRGAARAB9ASMN1; SMN2

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.

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