SCHEMBL20023065

SCHEMBL20023065

CC(C)(C)c1ccc(C(=O)CCCCC(=O)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.47
ALDH1A1 P00352 4/20 0.46
RAB9A P51151 5/20 0.46
LMNA P02545 3/20 0.46
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
CYP2J2 P51589 1/20 0.44
NPC1 O15118 4/20 0.44
NR4A2 P43354 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RECQL P46063 1/20 0.44
HTT P42858 2/20 0.43
EGFR P00533 2/20 0.43
MLNR O43193 1/20 0.43
NR1I2 O75469 1/20 0.43
ERBB2 P04626 1/20 0.43
FYN P06241 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 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
SCHEMBL20023059 0.99 DPP4 (0.46) DPP4ALDH1A1RAB9ALMNAGRIN1
SCHEMBL20023086 0.88 HDAC1 (0.50) DPP4ALDH1A1RAB9ALMNANPC1
SCHEMBL20023032 0.87 TDP1 (0.58) DPP4ALDH1A1RAB9ALMNANPC1
SCHEMBL20023048 0.86 HDAC1 (0.52) DPP4ALDH1A1RAB9ALMNANPC1
SCHEMBL20023036 0.85 TDP1 (0.61) DPP4ALDH1A1RAB9ALMNANPC1
SCHEMBL20023040 0.84 TDP1 (0.56) DPP4ALDH1A1RAB9ALMNANPC1
SCHEMBL20023061 0.84 NPC1 (0.62) DPP4RAB9ANPC1EGFRHDAC3
SCHEMBL20023049 0.83 HDAC1 (0.55) DPP4RAB9ALMNANPC1HDAC3
SCHEMBL7635555 0.83 HDAC3 (0.54) RAB9ANPC1NR4A2RXRARXRB
SCHEMBL20023053 0.82 NPC1 (0.60) DPP4RAB9ALMNANPC1EGFR

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 DPP4 1330/4885ALDH1A1 961/4885RAB9A 2280/4885

“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.