SCHEMBL20023070

SCHEMBL20023070

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.49
PTPN1 P18031 2/20 0.48
HSD11B1 P28845 1/20 0.46
MGLL Q99685 1/20 0.46
GSK3B P49841 1/20 0.44
PDPK1 O15530 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42
PLAAT4 Q9UL19 1/20 0.42
LMNA P02545 1/20 0.42
MAOB P27338 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL20023086 0.92 HDAC1 (0.50) MMP1PTPN1HSD11B1MGLLGSK3B
SCHEMBL20023048 0.91 HDAC1 (0.52) MMP1PTPN1HSD11B1MGLLGSK3B
SCHEMBL21339674 0.82 MMP12 (0.46) MMP1PTPN1MGLLPLAAT3PLAAT5
SCHEMBL20023076 0.81 MMP1 (0.56) MMP1MAPTLMNAKMT2ATDP1
SCHEMBL7641201 0.81 PPARG (0.50) MMP1PTPN1MGLLALDH1A1PLAAT3
SCHEMBL20023080 0.80 NPC1 (0.65) MMP1HSD11B1ALDH1A1MAPTLMNA
SCHEMBL20023065 0.80 DPP4 (0.47) ALDH1A1MAPTHDAC1HDAC8LMNA
SCHEMBL20023075 0.79 L3MBTL1 (0.58) ALDH1A1MAPTLMNASLC6A2SLC6A3
SCHEMBL20023099 0.79 USP5 (0.56) ALDH1A1MAPTMRGPRX4LMNASLC6A2
SCHEMBL20831000 0.79 KMT2A (0.69) MMP1MGLLALDH1A1MAPTMRGPRX4

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 MMP1 687/4885PTPN1 1731/4885HSD11B1 717/4885

“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.