SCHEMBL1810049

SCHEMBL1810049

COc1ccc(C(O)C2COC(C)(C)N2C(=O)OCc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.42
P2RX4 Q99571 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ACHE P22303 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
MMP1 P03956 2/20 0.39
MMP3 P08254 2/20 0.39
MMP7 P09237 2/20 0.39
MMP9 P14780 2/20 0.39
MMP13 P45452 1/20 0.39
PREP P48147 1/20 0.39
PARP1 P09874 1/20 0.38
CNR2 P34972 1/20 0.38
MMP2 P08253 1/20 0.38
MMP8 P22894 1/20 0.38
GRIN2B Q13224 1/20 0.38

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
SCHEMBL19287188 1.00 HTR2C (0.42) HTR2CP2RX4CA1CA2ACHE
SCHEMBL8074350 1.00 HTR2C (0.42) HTR2CP2RX4CA1CA2ACHE
SCHEMBL20538709 1.00 HTR2C (0.42) HTR2CP2RX4CA1CA2ACHE
SCHEMBL31000581 0.92 HTR2C (0.47) HTR2CLMNAMAPTPREP
SCHEMBL17996537 0.89 P2RY1 (0.40) HTR2CCA2ACHE
SCHEMBL17996490 0.85 PRNP (0.39) HTR2CCA1CA2ACHE
SCHEMBL2170846 0.83 HSD17B2 (0.40) ATM
SCHEMBL2170851 0.83 HSD17B2 (0.40) ATM
SCHEMBL17996588 0.80 PDE1C (0.44) HTR2CLMNAPREP
SCHEMBL16595628 0.79 PDE1C (0.49) HTR2CLMNAPREP

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 48 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-2550965-B1 Ceramide derivatives for treating polycystic kidney disease GENZYME CORP (US) 2019-01-16 EP disclosed
EP-2594565-B1 2-acylaminopropanol-type glucosylceramide synthase inhibitors GENZYME CORP (US) 2018-10-24 EP disclosed
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
EP-2209473-B1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES GENZYME CORP (US) 2017-11-22 EP 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
EP-2320886-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITION FOR THE TREATMENT OF COLLAPSING GLOMERULOPATHY AND OTHER GLOMERULAR DISEASE Genzyme Corporation (US) 2011-05-18 EP 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
EP-2209473-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES Genzyme Corporation (US) 2010-07-28 EP disclosed
WO-2010039256-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2010-04-08 WO disclosed
EP-2167485-A2 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS Genzyme Corporation (US) 2010-03-31 EP disclosed
WO-2010014554-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITION FOR THE TREATMENT OF COLLAPSING GLOMERULOPATHY AND OTHER GLOMERULAR DISEASE GENZYME CORPORATION (US) 2010-02-04 WO disclosed
WO-2009117150-A2 METHOD OF TREATING LUPUS WITH CERAMIDE DERIVATIVES GENZYME CORPORATION (US) 2009-09-24 WO disclosed
WO-2009045503-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES GENZYME CORPORATION (US) 2009-04-09 WO disclosed
WO-2008150486-A2 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2008-12-11 WO 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 (5 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 HTR2C 4387/4885P2RX4 4453/4885CA1 1723/4885
US-20100256216-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS ASAH2, GBA1, GAA HTR2C 4197/4885P2RX4 4793/4885CA1 3086/4885
US-20170258802-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES SGMS1, SGMS2, CERS2 HTR2C 4387/4885P2RX4 4453/4885CA1 1723/4885
US-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors ASAH2, GBA1, GAA HTR2C 4197/4885P2RX4 4793/4885CA1 3086/4885
US-20100298317-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES SGMS1, SGMS2, CERS2 HTR2C 4387/4885P2RX4 4453/4885CA1 1723/4885

“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.