SCHEMBL20023022

SCHEMBL20023022

O=C(Cc1ccc(OC(F)(F)F)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.49
LTA4H P09960 1/20 0.49
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
EPHX1 P07099 1/20 0.47
NLRP3 Q96P20 1/20 0.47
MRGPRX4 Q96LA9 2/20 0.47
CACNA1G O43497 1/20 0.46
CACNA1H O95180 1/20 0.46
CACNA1I Q9P0X4 1/20 0.46
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
SERPINE1 P05121 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 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
SCHEMBL7636977 0.83 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1FNTAFNTB
SCHEMBL7641201 0.83 PPARG (0.50) EPHX2LTA4HALDH1A1MAPK1L3MBTL1
SCHEMBL20023100 0.83 MRGPRX4 (0.50) L3MBTL1MRGPRX4FFAR1FFAR4
SCHEMBL7634614 0.81 NPC1 (0.55) LTA4HALDH1A1MAPK1L3MBTL1FNTA
SCHEMBL7635587 0.81 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1FNTAFNTB
SCHEMBL7637907 0.81 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1FNTAFNTB
SCHEMBL20831002 0.80 KMT2A (0.67) EPHX2ALDH1A1MRGPRX4SERPINE1SLC6A2
SCHEMBL20022965 0.79 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1EPHX1FNTA
SCHEMBL31264426 0.79 EPHX2 (0.51) EPHX2LTA4HEPHX1NLRP3MRGPRX4
SCHEMBL20029246 0.78 ALDH1A1 (0.60) EPHX2ALDH1A1KMT2AFAAHFPR2

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 EPHX2 1471/4885LTA4H 641/4885ALDH1A1 961/4885

“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.