SCHEMBL20023082

SCHEMBL20023082

CCC(=O)c1ccc(OCCC(=O)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.57
MAPT P10636 5/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
GAA P10253 2/20 0.57
ALDH1A1 P00352 1/20 0.57
HTT P42858 1/20 0.57
EGFR P00533 2/20 0.50
NPC1 O15118 3/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
MAOB P27338 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
HPGD P15428 2/20 0.46
PARP10 Q53GL7 1/20 0.45
USP2 O75604 1/20 0.44

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
SCHEMBL20023088 0.91 EGFR (0.52) RAB9AMAPTSMN1; SMN2GAAALDH1A1
SCHEMBL20023102 0.87 MAOB (0.65) MAPTSMN1; SMN2GAAALDH1A1HTT
SCHEMBL20023066 0.87 L3MBTL1 (0.55) RAB9AMAPTALDH1A1NPC1KMT2A
SCHEMBL20023081 0.87 MAOB (0.48) RAB9AMAPTSMN1; SMN2GAAALDH1A1
SCHEMBL20023104 0.87 EGFR (0.47) RAB9AMAPTSMN1; SMN2GAAALDH1A1
SCHEMBL20023072 0.86 L3MBTL1 (0.57) RAB9AMAPTSMN1; SMN2GAAALDH1A1
SCHEMBL20023079 0.86 L3MBTL1 (0.63) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL20022968 0.85 TSHR (0.53) MAPTALDH1A1KMT2AL3MBTL1NR4A1
SCHEMBL20022995 0.84 TSHR (0.58) RAB9AMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL20022993 0.84 L3MBTL1 (0.56) RAB9AMAPTGAAALDH1A1HTT

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 RAB9A 2280/4885MAPT 2401/4885SMN1; SMN2 964/4885

“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.