SCHEMBL761672

SCHEMBL761672

O=C1OC[C@H](c2ccccc2)N2C1[C@@H](c1ccc(OCc3ccccc3)cc1)O[C@H]2c1ccc(-c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.40
EGFR P00533 1/20 0.40
TP53 P04637 1/20 0.39
PRKDC P78527 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAOB P27338 3/20 0.37
MAOA P21397 2/20 0.37
PTPN1 P18031 1/20 0.36
NAAA Q02083 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 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
SCHEMBL19795842 0.82 ALDH1A1 (0.34) TP53MEN1KMT2A
SCHEMBL18011887 0.81 MAPK1 (0.44) L3MBTL1MAOBMAOAMEN1KMT2A
SCHEMBL18011890 0.79 MDM2 (0.38) MEN1KMT2A
SCHEMBL18012015 0.79 STING1 (0.35) MEN1KMT2A
SCHEMBL19795849 0.78 MAPK1 (0.41) MAOBMEN1KMT2A
SCHEMBL8444217 0.77 TP53 (0.35) EGFRTP53MAOBMAOANAAA
SCHEMBL4205273 0.75 IDH1 (0.36) MAOBMAOAMEN1KMT2A
SCHEMBL13375718 0.75 IDH1 (0.36) MAOBMAOAMEN1KMT2A
SCHEMBL5552934 0.75 IDH1 (0.36) MAOBMAOAMEN1KMT2A
SCHEMBL23484125 0.75 NAAA (0.47) TP53PRKDCMAOBMAOANAAA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 GSTP1 1221/4885EGFR 4806/4885TP53 4869/4885
US-20170334888-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS UGCG, UGGT1, DPAGT1 GSTP1 1355/4885EGFR 4740/4885TP53 4846/4885
US-20110003987-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS UGCG, UGGT1, DPAGT1 GSTP1 1355/4885EGFR 4740/4885TP53 4846/4885
US-20150148534-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYL TRANSFERASE INHIBITORS UGCG, UGGT1, DPAGT1 GSTP1 1221/4885EGFR 4806/4885TP53 4869/4885

“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.