SCHEMBL3108451

SCHEMBL3108451

O=C(Nc1cccc(C(F)(F)F)c1)N[C@H](CN1CCCC1)[C@@H](O)C1=COC=C(C2=CC=CCC2)O1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
CXCR3 P49682 1/20 0.38
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
EGFR P00533 2/20 0.37
DCUN1D1 Q96GG9 2/20 0.37
MEN1 O00255 1/20 0.37
UBE2M P61081 1/20 0.37
KDR P35968 1/20 0.37
RAB9A P51151 1/20 0.37
TP53 P04637 3/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL2181527 0.91 UGCG (0.40) HRH3HTR2AHTR2CEPHX2
SCHEMBL2167869 0.87 OPRK1 (0.39) GAAKMT2AKDM4EMEN1
SCHEMBL2167782 0.85 CXCR3 (0.35) CXCR3KMT2ASMN1; SMN2KDM4EMEN1
SCHEMBL2167862 0.84 UGCG (0.41) EPHX2
SCHEMBL2179165 0.84 HTR3A (0.38) KMT2AKDM4EMEN1RAB9ATP53
SCHEMBL2168748 0.82 KDM4E (0.40) KMT2AKDM4EHRH3MEN1
SCHEMBL2168545 0.81 UGCG (0.41) HRH3
SCHEMBL13560625 0.81 UGCG (0.41) HRH3TP53EPHX2
SCHEMBL2181012 0.80 KMT2A (0.37) KMT2ASMN1; SMN2KDM4EHRH3MEN1
SCHEMBL3101300 0.79 UGCG (0.41) KMT2ASMN1; SMN2MEN1TP53

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 19 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-9272996-B2 2-acylaminopropoanol-type glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2016-03-01 US disclosed
US-20150225393-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GENZYME CORPORATION 2015-08-13 US disclosed
US-20150216872-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES GENZYME CORPORATION 2015-08-06 US disclosed
US-8940776-B2 2-acylaminopropoanol-type glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2015-01-27 US disclosed
US-8912177-B2 Method of treating polycystic kidney diseases with ceramide derivatives GENZYME CORPORATION (US) 2014-12-16 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-8729075-B2 Glucosylceramide synthase inhibition for the treatment of collapsing glomerulopathy and other glomerular disease GENZYME CORPORATION (US) 2014-05-20 US disclosed
US-20130225573-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITION FOR THE TREATMENT OF COLLAPSING GLOMERULOPATHY AND OTHER GLOMERULAR DISEASE GENZYME CORPORATION (US) 2013-08-29 US disclosed
EP-2594562-A2 2-acylaminopropanol-type glucosylceramide synthase inhibitors Genzyme Corporation (US) 2013-05-22 EP 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-8304447-B2 2-acylaminopropoanol-type glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2012-11-06 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 (11 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-20150216872-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES SGMS1, SGMS2, CERS2 GAA 247/4885CXCR3 4206/4885KMT2A 2267/4885
US-20140336174-A1 Glucosylceramide Synthase Inhibition For The Treatment Of Collapsing Glomerulopathy And Other Glomerular Disease GBA1, UGCG, GBA2 GAA 59/4885CXCR3 2552/4885KMT2A 3993/4885
US-10220039-B2 Method of treating polycystic kidney diseases with ceramide derivatives SGMS1, SGMS2, CERS2 GAA 247/4885CXCR3 4206/4885KMT2A 2267/4885
US-20150225393-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors ASAH2, GBA1, GAA GAA 3/4885CXCR3 4766/4885KMT2A 1937/4885
US-20100256216-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS ASAH2, GBA1, GAA GAA 3/4885CXCR3 4766/4885KMT2A 1937/4885
US-20120322786-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, ASAH2 GAA 36/4885CXCR3 4733/4885KMT2A 1338/4885
US-20170258802-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES SGMS1, SGMS2, CERS2 GAA 247/4885CXCR3 4206/4885KMT2A 2267/4885
US-20130225573-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITION FOR THE TREATMENT OF COLLAPSING GLOMERULOPATHY AND OTHER GLOMERULAR DISEASE GBA1, UGCG, GBA2 GAA 59/4885CXCR3 2552/4885KMT2A 3993/4885
US-20120322787-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS ASAH2, GBA1, GAA GAA 3/4885CXCR3 4766/4885KMT2A 1937/4885
US-20160338996-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GBA1, GBA2, ASAH2 GAA 36/4885CXCR3 4733/4885KMT2A 1338/4885
US-20100298317-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES SGMS1, SGMS2, CERS2 GAA 247/4885CXCR3 4206/4885KMT2A 2267/4885

“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.