SCHEMBL2170846

SCHEMBL2170846

COc1ccc([C@@H](O)C2COC(C)(C)N2C(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.40
KMT2A Q03164 5/20 0.37
ALDH1A1 P00352 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
CHRNB2 P17787 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRND Q07001 1/20 0.34
ACACB O00763 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL2170851 1.00 HSD17B2 (0.40) HSD17B2KMT2AALDH1A1ATML3MBTL1
SCHEMBL17937285 0.91 KMT2A (0.38) HSD17B2KMT2AALDH1A1ATML3MBTL1
SCHEMBL31037751 0.85 L3MBTL1 (0.37) HSD17B2KMT2AALDH1A1L3MBTL1CYP2D6
SCHEMBL20538709 0.83 HTR2C (0.42) ATM
SCHEMBL19287188 0.83 HTR2C (0.42) ATM
SCHEMBL8074350 0.83 HTR2C (0.42) ATM
SCHEMBL31000581 0.71 HTR2C (0.47) KMT2AALDH1A1CYP3A4CYP2D6MAPK1
SCHEMBL7555828 0.70 ALDH1A1 (0.36) HSD17B2ALDH1A1L3MBTL1CYP3A4CYP2C19
SCHEMBL20833180 0.69 CHRNA1 (0.41) HSD17B2KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL2571281 0.69 HSD17B2 (0.45) HSD17B2KMT2AALDH1A1ATMCHRNB2

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 39 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-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
US-20160338996-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GENZYME CORPORATION 2016-11-24 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
EP-2209473-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES Genzyme Corporation (US) 2010-07-28 EP disclosed
EP-2167485-A2 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS Genzyme Corporation (US) 2010-03-31 EP 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 (8 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 HSD17B2 543/4885KMT2A 2267/4885ALDH1A1 2203/4885
US-20110184021-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GBA1, GBA2, ASAH2 HSD17B2 742/4885KMT2A 1338/4885ALDH1A1 1211/4885
US-20120322786-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, ASAH2 HSD17B2 742/4885KMT2A 1338/4885ALDH1A1 1211/4885
US-20170258802-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES SGMS1, SGMS2, CERS2 HSD17B2 543/4885KMT2A 2267/4885ALDH1A1 2203/4885
US-20110166134-A1 Glucosylceramide Synthase Inhibition For The Treatment Of Collapsing Glomerulopathy And Other Glomerular Disease GBA1, UGCG, GBA2 HSD17B2 1059/4885KMT2A 3993/4885ALDH1A1 3569/4885
US-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors ASAH2, GBA1, GAA HSD17B2 619/4885KMT2A 1937/4885ALDH1A1 961/4885
US-20160338996-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GBA1, GBA2, ASAH2 HSD17B2 742/4885KMT2A 1338/4885ALDH1A1 1211/4885
US-20100298317-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES SGMS1, SGMS2, CERS2 HSD17B2 543/4885KMT2A 2267/4885ALDH1A1 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.