SCHEMBL19043137

SCHEMBL19043137

O=CCCCCC(=O)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
LMNA P02545 1/20 0.37
HSD11B1 P28845 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HIF1A Q16665 1/20 0.33
CAMK2G Q13555 1/20 0.33
CAMK2A Q9UQM7 1/20 0.33
ALDH1A1 P00352 2/20 0.32
EPHX1 P07099 1/20 0.32
TSHR P16473 1/20 0.32
NAAA Q02083 2/20 0.32
TBXA2R P21731 3/20 0.32

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
SCHEMBL19043406 0.94 HIF1A (0.35) CES2CES1LMNAHSD11B1SMN1; SMN2
SCHEMBL19287068 0.94 CES2 (0.39) CES2CES1LMNAHSD11B1SMN1; SMN2
SCHEMBL19287161 0.90 HIF1A (0.38) LMNAHIF1ATSHR
SCHEMBL19043149 0.88 HIF1A (0.36) CES2CES1HIF1ATSHR
SCHEMBL3627474 0.86 CES2 (0.42) CES2CES1LMNAHSD11B1HDAC8
SCHEMBL19287127 0.84 HIF1A (0.39) HIF1ATSHR
SCHEMBL28394157 0.80
SCHEMBL2439449 0.78 TRPA1 (0.41) HSD11B1ALDH1A1
SCHEMBL15619828 0.78 LMNA (0.48) CES2CES1LMNASMN1; SMN2ALDH1A1
SCHEMBL29634673 0.78 TERT (0.54) LMNATBXA2R

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 4 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-9745294-B2 2-acylaminopropoanol-type glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2017-08-29 US disclosed
US-9744153-B2 2-acylaminopropoanol-type glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2017-08-29 US disclosed
EP-2320886-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITION FOR THE TREATMENT OF COLLAPSING GLOMERULOPATHY AND OTHER GLOMERULAR DISEASE GENZYME CORP (US) 2017-06-28 EP 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 CES2 469/4885CES1 309/4885LMNA 1311/4885

“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.