SCHEMBL20023072

SCHEMBL20023072

CCCOc1ccc(C(=O)CCC(=O)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.57
EGFR P00533 4/20 0.52
MAPT P10636 6/20 0.51
HTT P42858 2/20 0.51
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MMP1 P03956 1/20 0.48
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.47
MAOB P27338 1/20 0.47
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.47
THRB P10828 1/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.46
NR4A1 P22736 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
SCHEMBL20023088 0.90 EGFR (0.52) L3MBTL1EGFRMAPTHTTRAB9A
SCHEMBL20023045 0.90 NPC1 (0.55) EGFRMAPTHTTRAB9ASMN1; SMN2
SCHEMBL20023082 0.86 RAB9A (0.57) L3MBTL1EGFRMAPTHTTRAB9A
SCHEMBL20023080 0.85 NPC1 (0.65) L3MBTL1EGFRMAPTRAB9ASMN1; SMN2
SCHEMBL20023075 0.84 L3MBTL1 (0.58) L3MBTL1EGFRMAPTHTTRAB9A
SCHEMBL20023066 0.83 L3MBTL1 (0.55) L3MBTL1MAPTRAB9ANPC1ALDH1A1
SCHEMBL20023076 0.83 MMP1 (0.56) L3MBTL1EGFRMAPTRAB9ASMN1; SMN2
SCHEMBL20023093 0.83 NPC1 (0.59) L3MBTL1EGFRMAPTHTTRAB9A
SCHEMBL20023137 0.81 NPC1 (0.60) L3MBTL1EGFRMAPTRAB9ASMN1; SMN2
SCHEMBL20023094 0.81 EGFR (0.47) L3MBTL1EGFRMAPTHTTRAB9A

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 L3MBTL1 3762/4885EGFR 1203/4885MAPT 2401/4885

“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.