SCHEMBL737972

SCHEMBL737972

O=C1OC[C@H](c2ccccc2)N2[C@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)O[C@H]2c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
MAOB P27338 4/20 0.40
MAOA P21397 2/20 0.40
NAAA Q02083 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
KMT2A Q03164 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
GRM2 Q14416 1/20 0.38
LMNA P02545 1/20 0.38
FAAH O00519 1/20 0.38
EGFR P00533 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
GRM5 P41594 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 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
SCHEMBL761672 0.96 GSTP1 (0.40) TP53MAOBMAOANAAAMEN1
SCHEMBL19795842 0.85 ALDH1A1 (0.34) TP53MEN1KMT2ALMNANPC1
SCHEMBL18011887 0.84 MAPK1 (0.44) MAOBMAOAMEN1KMT2ALMNA
SCHEMBL18011890 0.82 MDM2 (0.38) MEN1KMT2AGRM2
SCHEMBL18012015 0.82 STING1 (0.35) MEN1KMT2ALMNANPC1ALDH1A1
SCHEMBL19795849 0.81 MAPK1 (0.41) MAOBMEN1KMT2ALMNANPC1
SCHEMBL18011728 0.81 CYP19A1 (0.36) MAOBMAOACYP1A2ALDH1A1HPGD
SCHEMBL764348 0.80 TP53 (0.35) TP53MAOBMAOANAAAMEN1
SCHEMBL8444217 0.80 TP53 (0.35) TP53MAOBMAOANAAAMEN1
SCHEMBL5552934 0.78 IDH1 (0.36) MAOBMAOAMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210171507-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS GENZYME CORPORATION 2021-06-10 US disclosed
US-20190322649-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS GENZYME CORPORATION 2019-10-24 US disclosed
US-20170334888-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS GENZYME CORPORATION 2017-11-23 US disclosed
US-9546161-B2 Synthesis of UDP-glucose: N-acylsphingosine glucosyl transferase inhibitors GENZYME CORPORATION (US) 2017-01-17 US disclosed
US-20150148534-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYL TRANSFERASE INHIBITORS GENZYME CORPORATION 2015-05-28 US disclosed
US-8779163-B2 Synthesis of UDP-Glucose: N-acylsphingosine glucosyl transferase inhibitors GENZYME CORPORATION (US) 2014-07-15 US disclosed
EP-2266968-B1 Synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors GENZYME CORP (US) 2013-01-09 EP disclosed
US-20120296088-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYL TRANSFERASE INHIBITORS GENZYME CORPORATION 2012-11-22 US disclosed
EP-2067775-B1 A N-Acylsphingosine glucosyltransferase inhibitor GENZYME CORP (US) 2012-04-25 EP disclosed
EP-1409467-B1 A N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITOR GENZYME CORP (US) 2012-04-18 EP 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
EP-2067775-A1 Synthesis of UDP-glucose: N-Acylsphingosine glucosyltransferase inhibitors GENZYME CORPORATION (US) 2009-06-10 EP 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
US-20050222244-A1 Synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors GENZYME CORPORATION (US) 2005-10-06 US disclosed
US-6855830-B2 Synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors GENZYME CORPORATION (US) 2005-02-15 US disclosed
US-20050009872-A1 Synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors GENZYME CORPORATION (US) 2005-01-13 US disclosed
US-20030050299-A1 An intermediates for enantiomeric synthesis cermamide-like inhibitors; producing antilipemic agents GENZYME CORPORATION 2003-03-13 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 (10 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 TP53 4869/4885MAOB 1986/4885MAOA 2052/4885
US-20050222244-A1 Synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors UGCG, UGGT1, DPAGT1 TP53 4846/4885MAOB 2234/4885MAOA 2224/4885
US-20210171507-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS UGCG, UGGT1, DPAGT1 TP53 4846/4885MAOB 2234/4885MAOA 2224/4885
US-20170334888-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS UGCG, UGGT1, DPAGT1 TP53 4846/4885MAOB 2234/4885MAOA 2224/4885
US-20150148534-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYL TRANSFERASE INHIBITORS UGCG, UGGT1, DPAGT1 TP53 4869/4885MAOB 1986/4885MAOA 2052/4885
US-20080058514-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS UGCG, UGGT1, DPAGT1 TP53 4846/4885MAOB 2234/4885MAOA 2224/4885
US-20190322649-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS UGCG, UGGT1, DPAGT1 TP53 4846/4885MAOB 2234/4885MAOA 2224/4885
US-20050009872-A1 Synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors UGCG, UGGT1, DPAGT1 TP53 4846/4885MAOB 2234/4885MAOA 2224/4885
US-20070203223-A1 Synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors UGCG, UGGT1, DPAGT1 TP53 4846/4885MAOB 2234/4885MAOA 2224/4885
US-20030050299-A1 An intermediates for enantiomeric synthesis cermamide-like inhibitors; producing antilipemic agents UGCG, UGGT1, LCLAT1 TP53 4824/4885MAOB 2000/4885MAOA 1924/4885

“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.