SCHEMBL20029318

SCHEMBL20029318

COc1ccc(CCNC(=O)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 3/20 0.68
PLAAT5 Q96KN8 3/20 0.68
PLAAT2 Q9NWW9 3/20 0.68
PLAAT4 Q9UL19 3/20 0.68
NPC1 O15118 1/20 0.61
GAA P10253 1/20 0.61
RAB9A P51151 1/20 0.61
TAAR1 Q96RJ0 1/20 0.61
MAPT P10636 1/20 0.59
FPR2 P25090 1/20 0.59
PTPN1 P18031 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
KMT2A Q03164 3/20 0.56
MEN1 O00255 1/20 0.56
ATM Q13315 1/20 0.56
GLA P06280 1/20 0.56
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL8737718 0.86 NPC1 (0.72) PLAAT3PLAAT5PLAAT2PLAAT4NPC1
SCHEMBL20022976 0.86 NPC1 (0.62) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL16562131 0.84 TAAR1 (0.68) PLAAT3PLAAT5PLAAT2PLAAT4NPC1
SCHEMBL1521953 0.83 LTA4H (0.58) NPC1RAB9AMAPTSMN1; SMN2ATM
SCHEMBL23440104 0.82 PLAAT3 (0.73) PLAAT3PLAAT5PLAAT2PLAAT4NPC1
SCHEMBL17919369 0.81 SMN1; SMN2 (0.77) PLAAT3PLAAT5PLAAT2PLAAT4NPC1
SCHEMBL20023114 0.81 NPC1 (0.56) PLAAT3PLAAT5PLAAT2PLAAT4NPC1
SCHEMBL6552601 0.80 NPC1 (0.63) PLAAT3PLAAT5PLAAT2PLAAT4NPC1
SCHEMBL10516281 0.80 SMN1; SMN2 (0.71) PLAAT3PLAAT5PLAAT2PLAAT4NPC1
SCHEMBL7059127 0.80 PLAAT3 (0.61) PLAAT3PLAAT5PLAAT2PLAAT4NPC1

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 1 patent. 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

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 PLAAT3 938/4885PLAAT5 1023/4885PLAAT2 191/4885

“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.