SCHEMBL20023076

SCHEMBL20023076

O=C(CCC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.56
ERCC5 P28715 1/20 0.52
FEN1 P39748 1/20 0.52
POLB P06746 1/20 0.50
EGFR P00533 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SRD5A2 P31213 3/20 0.47
TDP1 Q9NUW8 2/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
FFAR1 O14842 2/20 0.45
FFAR4 Q5NUL3 1/20 0.45
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.44
NR4A1 P22736 1/20 0.44

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
SCHEMBL20023060 0.92 ERCC5 (0.50) MMP1ERCC5FEN1POLBEGFR
SCHEMBL20023080 0.88 NPC1 (0.65) MMP1POLBEGFRNPC1RAB9A
SCHEMBL20023045 0.85 NPC1 (0.55) EGFRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL20023094 0.84 EGFR (0.47) EGFRNPC1RAB9ATDP1LMNA
SCHEMBL20023137 0.84 NPC1 (0.60) MMP1POLBEGFRNPC1RAB9A
SCHEMBL20023072 0.83 L3MBTL1 (0.57) MMP1POLBEGFRNPC1RAB9A
SCHEMBL9814634 0.82 MMP1 (0.77) MMP1ERCC5FEN1POLBNPC1
SCHEMBL20023075 0.81 L3MBTL1 (0.58) EGFRNPC1RAB9ATDP1LMNA
SCHEMBL20023070 0.81 MMP1 (0.49) MMP1TDP1LMNAMAPTKMT2A
SCHEMBL20023099 0.81 USP5 (0.56) EGFRNPC1RAB9ATDP1LMNA

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 MMP1 687/4885ERCC5 4848/4885FEN1 4385/4885

“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.