SCHEMBL20022992

SCHEMBL20022992

O=C(CCOc1cccc(Cl)c1)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.53
RXRB P28702 2/20 0.53
RXRG P48443 2/20 0.53
NR4A2 P43354 3/20 0.49
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
FFAR1 O14842 1/20 0.47
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL20022968 0.86 TSHR (0.53) NR4A2CYP1A2CYP2C9CYP2C19FFAR1
SCHEMBL20022989 0.85 TAAR1 (0.50) NR4A2FFAR1PPARGKMT2AMEN1
SCHEMBL20022987 0.85 MAOB (0.58) FFAR1MAOB
SCHEMBL20023108 0.81 MRGPRX4 (0.44) NR4A2
SCHEMBL7060138 0.81 PLAAT3 (0.58) RXRARXRBRXRGNR4A2NPC1
SCHEMBL20022988 0.81 KDM4E (0.53) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL7634829 0.80 PLAAT3 (0.59) FFAR1KMT2AMEN1
SCHEMBL7642087 0.79 TAAR1 (0.51) NPC1FFAR1HTT
SCHEMBL7634913 0.78 HDAC1 (0.55) FFAR1
SCHEMBL7635353 0.78 HCAR2 (0.54) RXRARXRBRXRGNR4A2KMT2A

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 RXRA 4014/4885RXRB 4049/4885RXRG 4190/4885

“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.