SCHEMBL2168926

SCHEMBL2168926

CC(C)Oc1ccc(C(=O)CCC(=O)N[C@H](CN2CCCC2)[C@@H](O)C2=COC=C(C3=CC=CCC3)O2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.42
HTT P42858 1/20 0.42
UGCG Q16739 13/20 0.36
HTR1A P08908 1/20 0.34
PTGS1 P23219 1/20 0.34
OPRM1 P35372 1/20 0.34
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MTOR P42345 1/20 0.32
ABCB1 P08183 1/20 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
SCHEMBL2169668 0.96 TP53 (0.41) TP53MAPTALDH1A1THRBHTT
SCHEMBL3093074 0.88 UGCG (0.40) TP53MAPTALDH1A1HTTUGCG
SCHEMBL2168592 0.88 UGCG (0.41) TP53MAPTALDH1A1HTTUGCG
SCHEMBL2169351 0.88 UGCG (0.42) TP53MAPTUGCGHTR1APTGS1
SCHEMBL2168883 0.88 UGCG (0.42) TP53MAPTUGCGHTR1APTGS1
SCHEMBL13560625 0.87 UGCG (0.41) TP53UGCGHTR1APTGS1OPRM1
SCHEMBL3108571 0.86 THRB (0.35) MAPTALDH1A1THRBUGCGHTR1A
SCHEMBL16987211 0.86 UGCG (0.41) TP53MAPTALDH1A1UGCGHTR1A
SCHEMBL2180676 0.84 UGCG (0.46) TP53MAPTALDH1A1UGCGHTR1A
SCHEMBL2168108 0.84 UGCG (0.41) TP53MAPTALDH1A1HTTUGCG

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10220039-B2 Method of treating polycystic kidney diseases with ceramide derivatives GENZYME CORPORATION (US) 2019-03-05 US disclosed
EP-2594565-B1 2-acylaminopropanol-type glucosylceramide synthase inhibitors GENZYME CORP (US) 2018-10-24 EP disclosed
US-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GENZYME CORPORATION 2018-04-05 US disclosed
US-20170258802-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES GENZYME CORPORATION 2017-09-14 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
US-20160338996-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GENZYME CORPORATION 2016-11-24 US disclosed
US-9481671-B2 Glucosylceramide synthase inhibition for the treatment of collapsing glomerulopathy and other glomerular disease GENZYME CORPORATION (US) 2016-11-01 US disclosed
EP-3078373-A1 2-ACYLAMINOPROPANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITOR Genzyme Corporation (US) 2016-10-12 EP disclosed
EP-2594564-A2 2-acylaminopropanol-type glucosylceramide synthase inhibitors Genzyme Corporation (US) 2013-05-22 EP disclosed
US-8389517-B2 Glucosylceramide synthase inhibition for the treatment of collapsing glomerulopathy and other glomerular disease GENZYME CORPORATION (US) 2013-03-05 US disclosed
US-20120322787-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2012-12-20 US disclosed
US-20120322786-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2012-12-20 US disclosed
US-8309593-B2 2-acylaminopropoanol-type glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2012-11-13 US disclosed
US-8304447-B2 2-acylaminopropoanol-type glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2012-11-06 US disclosed
US-20110184021-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GENZYME CORPORATION 2011-07-28 US disclosed
US-20110166134-A1 Glucosylceramide Synthase Inhibition For The Treatment Of Collapsing Glomerulopathy And Other Glomerular Disease GENZYME CORPORATION 2011-07-07 US disclosed
US-20100298317-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES GENZYME CORPORATION 2010-11-25 US disclosed
US-20100256216-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION 2010-10-07 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 (10 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-10220039-B2 Method of treating polycystic kidney diseases with ceramide derivatives SGMS1, SGMS2, CERS2 TP53 2772/4885MAPT 4273/4885ALDH1A1 2203/4885
US-20110184021-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GBA1, GBA2, ASAH2 TP53 4052/4885MAPT 4014/4885ALDH1A1 1211/4885
US-20100256216-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS ASAH2, GBA1, GAA TP53 4477/4885MAPT 2401/4885ALDH1A1 961/4885
US-20120322786-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, ASAH2 TP53 4052/4885MAPT 4014/4885ALDH1A1 1211/4885
US-20170258802-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES SGMS1, SGMS2, CERS2 TP53 2772/4885MAPT 4273/4885ALDH1A1 2203/4885
US-20120322787-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS ASAH2, GBA1, GAA TP53 4477/4885MAPT 2401/4885ALDH1A1 961/4885
US-20110166134-A1 Glucosylceramide Synthase Inhibition For The Treatment Of Collapsing Glomerulopathy And Other Glomerular Disease GBA1, UGCG, GBA2 TP53 4829/4885MAPT 4412/4885ALDH1A1 3569/4885
US-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors ASAH2, GBA1, GAA TP53 4477/4885MAPT 2401/4885ALDH1A1 961/4885
US-20160338996-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GBA1, GBA2, ASAH2 TP53 4052/4885MAPT 4014/4885ALDH1A1 1211/4885
US-20100298317-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES SGMS1, SGMS2, CERS2 TP53 2772/4885MAPT 4273/4885ALDH1A1 2203/4885

“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.