SCHEMBL16933418

SCHEMBL16933418

CC(C)(NC(N)=O)c1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 1/20 0.52
▸ EPHX2 P34913 1/20 0.50
▸ KCNH2 Q12809 1/20 0.49
▸ PHGDH O43175 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ GAA P10253 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.47
▸ HSP90AB1 P08238 1/20 0.47
▸ HPGD P15428 5/20 0.47
▸ HTT P42858 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HRH3 Q9Y5N1 3/20 0.47
▸ JAK2 O60674 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ AKR1C3 P42330 1/20 0.45
▸ MEN1 O00255 1/20 0.45

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
SCHEMBL16933440 0.89 HPGD (0.51) MLYCDEPHX2PHGDHALDH1A1GAA
SCHEMBL17806573 0.83 ALDH1A1 (0.65) MLYCDEPHX2PHGDHALDH1A1GAA
SCHEMBL15579306 0.79 MLYCD (0.57) MLYCDEPHX2KCNH2PHGDHALDH1A1
SCHEMBL16933605 0.78 MLYCD (0.43) MLYCDEPHX2KCNH2PHGDHALDH1A1
SCHEMBL270344 0.78 ALDH1A1 (0.71) MLYCDEPHX2PHGDHALDH1A1GAA
SCHEMBL16933468 0.77 NTMT1 (0.44) MLYCDEPHX2ALDH1A1HPGDHRH3
SCHEMBL16933693 0.77 MEN1 (0.52) MLYCDALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL15578195 0.76 NTMT1 (0.51) —
SCHEMBL25018488 0.76 MLYCD (0.62) MLYCDEPHX2PHGDHALDH1A1GAA
SCHEMBL16933469 0.75 L3MBTL1 (0.58) EPHX2ALDH1A1HTTSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008316-B2 Glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2021-05-18 — — US disclosed
US-20180065957-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2018-03-08 — — US disclosed
US-20150210681-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2015-07-30 — — 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 (3 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-20150210681-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, GAA MLYCD 477/4885EPHX2 1284/4885KCNH2 4408/4885
US-20180065957-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, GAA MLYCD 477/4885EPHX2 1284/4885KCNH2 4408/4885
US-11008316-B2 Glucosylceramide synthase inhibitors GBA1, GBA2, GAA MLYCD 485/4885EPHX2 1326/4885KCNH2 4272/4885

“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.

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