SCHEMBL761654

SCHEMBL761654

O=C1OC[C@H](c2ccccc2)N2C1[C@@H](c1ccc3c(c1)OCCO3)O[C@H]2c1ccc2c(c1)OCCO2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
NPC1 O15118 4/20 0.43
TSHR P16473 2/20 0.41
HDAC4 P56524 1/20 0.40
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TERT O14746 1/20 0.38
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 2/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
STING1 Q86WV6 7/20 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
SCHEMBL761670 1.00 RAB9A (0.43) RAB9ANPC1TSHRHDAC4PTGS2
SCHEMBL19997585 1.00 RAB9A (0.43) RAB9ANPC1TSHRHDAC4PTGS2
SCHEMBL17558083 1.00 RAB9A (0.43) RAB9ANPC1TSHRHDAC4PTGS2
SCHEMBL19997586 1.00 RAB9A (0.43) RAB9ANPC1TSHRHDAC4PTGS2
SCHEMBL17558067 0.91 TSHR (0.42) RAB9ANPC1TSHRPTGS2ALDH1A1
SCHEMBL19632888 0.89 TSHR (0.42) RAB9ANPC1TSHRHDAC4PTGS2
SCHEMBL1755657 0.89 RAB9A (0.40) RAB9ANPC1TSHRHDAC4PTGS2
SCHEMBL19795842 0.83 ALDH1A1 (0.34) RAB9ANPC1TSHRALDH1A1HTT
SCHEMBL764381 0.81 RAB9A (0.35) RAB9ANPC1TSHRHDAC4PTGS2
SCHEMBL764383 0.79 NPC1 (0.34) RAB9ANPC1TSHRHDAC4PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11697644-B2 Process for synthesis of eliglustat and intermediate compounds thereof ZHEJIANG AUSUN PHARMACEUTICAL CO., LTD. (CN) 2023-07-11 US disclosed
US-11697644-B2 Process for synthesis of eliglustat and intermediate compounds thereof ZHEJIANG AUSUN PHARMACEUTICAL CO., LTD. (CN) 2023-07-11 US disclosed
US-20210171507-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS GENZYME CORPORATION 2021-06-10 US disclosed
EP-3611171-A1 METHOD FOR SYNTHESIS OF ELIGLUSTAT AND INTERMEDIATE COMPOUNDS THEREOF Zhejiang Ausun Pharmaceutical Co., Ltd. (CN) 2020-02-19 EP disclosed
US-20200031808-A1 PROCESS FOR SYNTHESIS OF ELIGLUSTAT AND INTERMEDIATE COMPOUNDS THEREOF ZHEJIANG AUSUN PHARMACEUTICAL CO., LTD. (CN) 2020-01-30 US disclosed
WO-2020020365-A1 METHOD FOR PREPARING OPTICALLY ACTIVE ELIGLUSTAT 中国医学科学院药物研究所 2020-01-30 WO disclosed
US-20190322649-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS GENZYME CORPORATION 2019-10-24 US disclosed
US-9988364-B1 Process for synthesis of Eliglustat and intermediate compounds thereof ZHEJIANG AUSUN PHARMACEUTICAL CO., LTD. (CN) 2018-06-05 US disclosed
US-9988364-B1 Process for synthesis of Eliglustat and intermediate compounds thereof ZHEJIANG AUSUN PHARMACEUTICAL CO., LTD. (CN) 2018-06-05 US disclosed
US-20170334888-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS GENZYME CORPORATION 2017-11-23 US disclosed
US-8779163-B2 Synthesis of UDP-Glucose: N-acylsphingosine glucosyl transferase inhibitors GENZYME CORPORATION (US) 2014-07-15 US disclosed
US-20120296088-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYL TRANSFERASE INHIBITORS GENZYME CORPORATION 2012-11-22 US disclosed
US-8138353-B2 Synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors GENZYME CORPORATION (US) 2012-03-20 US disclosed
US-20110003987-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS GENZYME CORPORATION 2011-01-06 US disclosed
US-7763738-B2 Synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors GENZYME CORPORATION (US) 2010-07-27 US disclosed
US-7615573-B2 Synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-11-10 US disclosed
US-20080058514-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS HIRTH BRADFORD H 2008-03-06 US disclosed
US-7265228-B2 Synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors GENZYME CORPORATION (US) 2007-09-04 US disclosed
US-20070203223-A1 Synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2007-08-30 US disclosed
US-7196205-B2 Synthesis of amino ceramide-like compounds; for treating Tay-Sachs, Gaucher's or Fabry's disease; amenable to large scale preparations THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-03-27 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 (9 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-20120296088-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYL TRANSFERASE INHIBITORS UGCG, UGGT1, DPAGT1 RAB9A 1515/4885NPC1 129/4885TSHR 4390/4885
US-20210171507-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS UGCG, UGGT1, DPAGT1 RAB9A 1520/4885NPC1 137/4885TSHR 4491/4885
US-20170334888-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS UGCG, UGGT1, DPAGT1 RAB9A 1520/4885NPC1 137/4885TSHR 4491/4885
US-11697644-B2 Process for synthesis of eliglustat and intermediate compounds thereof EPOR, FGFR1, ABL1 RAB9A 439/4885NPC1 1215/4885TSHR 2762/4885
US-20110003987-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS UGCG, UGGT1, DPAGT1 RAB9A 1520/4885NPC1 137/4885TSHR 4491/4885
US-20080058514-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS UGCG, UGGT1, DPAGT1 RAB9A 1520/4885NPC1 137/4885TSHR 4491/4885
US-20190322649-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS UGCG, UGGT1, DPAGT1 RAB9A 1520/4885NPC1 137/4885TSHR 4491/4885
US-20070203223-A1 Synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors UGCG, UGGT1, DPAGT1 RAB9A 1520/4885NPC1 137/4885TSHR 4491/4885
US-20200031808-A1 PROCESS FOR SYNTHESIS OF ELIGLUSTAT AND INTERMEDIATE COMPOUNDS THEREOF COASY, ELL, CYP3A4 RAB9A 794/4885NPC1 1518/4885TSHR 3458/4885

“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.