Sugi Predict

Sugi Predict / Compounds / SCHEMBL12614912

SCHEMBL12614912

SCHEMBL12614912

O=C(O)NC1(c2ccc(-c3ccc(F)cc3)cc2)COC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 2/20 0.47
▸ WDR91 A4D1P6 4/20 0.42
▸ BCL2L1 Q07817 1/20 0.41
▸ BAD Q92934 1/20 0.41
▸ IDO1 P14902 4/20 0.40
▸ HDAC2 Q92769 4/20 0.40
▸ HDAC3 O15379 3/20 0.40
▸ HDAC1 Q13547 3/20 0.40
▸ PDE2A O00408 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ APP P05067 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HCAR3 P49019 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.36
▸ HSD11B1 P28845 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
SCHEMBL28540955 0.85 BCL2L1 (0.44) BCL2L1BADHDAC2HDAC3HDAC1
SCHEMBL2718047 0.79 WDR91 (0.44) CHRNA7WDR91HDAC2HDAC3HDAC1
SCHEMBL19330856 0.74 WDR91 (0.44) CHRNA7WDR91PDE2A
SCHEMBL23908270 0.74 WDR91 (0.56) CHRNA7WDR91HDAC2HDAC3HDAC1
SCHEMBL17442167 0.72 PDE4B (0.39) WDR91PDE2A
SCHEMBL2362049 0.71 TACR3 (0.44) HDAC1PDE2APTGS2
SCHEMBL17924792 0.71 CYP2C19 (0.54) APPCYP3A4CYP2C9CYP2C19HSD11B1
SCHEMBL2700792 0.71 LIPG (0.43) WDR91
SCHEMBL19331292 0.70 SMN1; SMN2 (0.48) WDR91
SCHEMBL28547259 0.70 NPC1 (0.44) HDAC2HDAC3HDAC1HDAC6CYP3A4

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-20180065957-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2018-03-08 — — US claimed
US-20160207933-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION 2016-07-21 — — US claimed
EP-2895484-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS Genzyme Corporation (US) 2015-07-22 — — EP claimed
WO-2014043068-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2014-03-20 — — WO claimed
EP-2685986-A2 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS Genzyme Corporation (US) 2014-01-22 — — EP claimed
WO-2012129084-A2 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2012-09-27 — — WO claimed
US-20220409595-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION 2022-12-29 — — US disclosed
EP-4098654-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS Genzyme Corporation (US) 2022-12-07 — — EP disclosed
US-20220062254-A1 INHIBITORS OF GANGLIOSIDES METABOLISM FOR THE TREATMENT OF MOTOR NEURON DISEASES ICM INST DU CERVEAU ET DE LA MOELLE EPINIERE (FR) 2022-03-03 — — US disclosed
US-20210379031-A1 BIOMARKER OF POLYCYSTIC KIDNEY DISEASE AND USES THEREOF GENZYME CORPORATION (US) 2021-12-09 — — US disclosed
US-11065238-B2 Inhibitors of gangliosides metabolism for the treatment of motor neuron diseases ICM (INSTITUT DU CERVEAU ET DE LA MOELLE ÉPINIÈRE) (FR) 2021-07-20 — — US disclosed
US-11008316-B2 Glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2021-05-18 — — US disclosed
EP-3079695-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORP (US) 2021-03-17 — — EP disclosed
US-20180065957-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2018-03-08 — — US disclosed
US-20160361301-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION 2016-12-15 — — US disclosed
US-20160207933-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION 2016-07-21 — — US disclosed
EP-2895484-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS Genzyme Corporation (US) 2015-07-22 — — EP disclosed
WO-2014043068-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2014-03-20 — — WO disclosed
EP-2685986-A2 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS Genzyme Corporation (US) 2014-01-22 — — EP disclosed
WO-2012129084-A2 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2012-09-27 — — 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-20180065957-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, GAA CHRNA7 4631/4885WDR91 1528/4885BCL2L1 3097/4885
US-11008316-B2 Glucosylceramide synthase inhibitors GBA1, GBA2, GAA CHRNA7 4652/4885WDR91 1253/4885BCL2L1 2746/4885
US-11065238-B2 Inhibitors of gangliosides metabolism for the treatment of motor neuron diseases GBA1, SMN1; SMN2, GAA CHRNA7 1185/4885WDR91 1578/4885BCL2L1 4049/4885
US-20160361301-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, GAA CHRNA7 4406/4885WDR91 1552/4885BCL2L1 3507/4885
US-20220409595-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, GAA CHRNA7 4405/4885WDR91 1568/4885BCL2L1 3557/4885
US-20160207933-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, GAA CHRNA7 4670/4885WDR91 1435/4885BCL2L1 3068/4885
US-20210379031-A1 BIOMARKER OF POLYCYSTIC KIDNEY DISEASE AND USES THEREOF PKD2, PKD1, KLKB1 CHRNA7 4693/4885WDR91 667/4885BCL2L1 500/4885
US-20220062254-A1 INHIBITORS OF GANGLIOSIDES METABOLISM FOR THE TREATMENT OF MOTOR NEURON DISEASES GBA1, SMN1; SMN2, GAA CHRNA7 1185/4885WDR91 1578/4885BCL2L1 4049/4885

“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.