SCHEMBL20023074

SCHEMBL20023074

COc1ccc(C(=O)CCC(=O)C(=O)OCc2ccccc2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.51
RAB9A P51151 3/20 0.50
HTT P42858 3/20 0.50
LMNA P02545 3/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
HRH3 Q9Y5N1 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ATM Q13315 1/20 0.44
CTNNB1 P35222 2/20 0.43
WNT3A P56704 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
SMPD1 P17405 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL20023067 0.86 MRGPRX4 (0.44) RAB9ALMNASMN1; SMN2NPC1HPGD
SCHEMBL20023080 0.80 NPC1 (0.65) RAB9ALMNASMN1; SMN2NPC1MEN1
SCHEMBL1515704 0.79 HTT (0.62) ACHERAB9AHTTLMNAMAPK1
SCHEMBL346725 0.78 HTT (0.66) ACHERAB9AHTTLMNAMAPK1
SCHEMBL20023085 0.78 CAPN1 (0.52) RAB9AHTTLMNANPC1HPGD
SCHEMBL20023137 0.77 NPC1 (0.60) RAB9ALMNASMN1; SMN2NPC1MEN1
SCHEMBL20023099 0.74 USP5 (0.56) RAB9ALMNASMN1; SMN2NPC1HPGD
SCHEMBL20023075 0.74 L3MBTL1 (0.58) RAB9AHTTLMNASMN1; SMN2NPC1
SCHEMBL7060334 0.74 KMT2A (0.58) KMT2AALDH1A1HDAC1
SCHEMBL20023070 0.74 MMP1 (0.49) LMNAKMT2AALDH1A1MAPTHDAC1

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-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 ACHE 3192/4885RAB9A 2280/4885HTT 1520/4885

“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.