Sugi Predict

Sugi Predict / Compounds / SCHEMBL3108571

SCHEMBL3108571

SCHEMBL3108571

CC(C)CC(=O)c1ccc(OCCC(=O)N[C@H](CN2CCCC2)[C@@H](O)C2=COC=C(C3=CC=CCC3)O2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 5/20 0.35
▸ THRA P10827 2/20 0.35
▸ UGCG Q16739 7/20 0.35
▸ HRH2 P25021 4/20 0.35
▸ HRH1 P35367 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ LMNA P02545 3/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CHRM5 P08912 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35

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
SCHEMBL2167881 0.90 UGCG (0.41) UGCGMAPTSMN1; SMN2HTR1APTGS1
SCHEMBL2169445 0.90 UGCG (0.41) UGCGMAPTSMN1; SMN2HTR1APTGS1
SCHEMBL2167344 0.90 UGCG (0.38) UGCGCYP2D6CYP2C9CYP3A4HTR1A
SCHEMBL2168132 0.89 UGCG (0.41) UGCGMAPTSMN1; SMN2HTR1APTGS1
SCHEMBL2169349 0.89 UGCG (0.37) UGCGLMNAHRH3HTR1APTGS1
SCHEMBL2167637 0.89 MEN1 (0.38) UGCGHRH3HTR1APTGS1OPRM1
SCHEMBL2170033 0.88 UGCG (0.42) UGCGALDH1A1LMNACYP2D6CYP2C9
SCHEMBL13673791 0.87 UGCG (0.35) UGCGCYP2D6CYP2C9HRH3CYP3A4
SCHEMBL2168926 0.86 TP53 (0.42) THRBUGCGALDH1A1CYP2D6CYP2C9
SCHEMBL3089432 0.86 UGCG (0.41) UGCGCYP2D6CYP2C9MAPTCYP3A4

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 13 patents. 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
US-20170258802-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES GENZYME CORPORATION 2017-09-14 — — US disclosed
US-9744153-B2 2-acylaminopropoanol-type glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2017-08-29 — — US 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
US-8940776-B2 2-acylaminopropoanol-type glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2015-01-27 — — US disclosed
US-20140336174-A1 Glucosylceramide Synthase Inhibition For The Treatment Of Collapsing Glomerulopathy And Other Glomerular Disease GENZYME CORPORATION (US) 2014-11-13 — — US 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-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 (7 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-20140336174-A1 Glucosylceramide Synthase Inhibition For The Treatment Of Collapsing Glomerulopathy And Other Glomerular Disease GBA1, UGCG, GBA2 THRB 4448/4885THRA 4338/4885UGCG 2/4885
US-10220039-B2 Method of treating polycystic kidney diseases with ceramide derivatives SGMS1, SGMS2, CERS2 THRB 4521/4885THRA 4533/4885UGCG 27/4885
US-20100256216-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS ASAH2, GBA1, GAA THRB 1715/4885THRA 2056/4885UGCG 6/4885
US-20120322786-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, ASAH2 THRB 2549/4885THRA 2320/4885UGCG 14/4885
US-20170258802-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES SGMS1, SGMS2, CERS2 THRB 4521/4885THRA 4533/4885UGCG 27/4885
US-20120322787-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS ASAH2, GBA1, GAA THRB 1715/4885THRA 2056/4885UGCG 6/4885
US-20160338996-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GBA1, GBA2, ASAH2 THRB 2549/4885THRA 2320/4885UGCG 14/4885

“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.