SCHEMBL18011995

SCHEMBL18011995

COC(=O)[C@H]1NC(=O)O[C@@H]1c1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.46
CYP2D6 P10635 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
HSD17B10 Q99714 1/20 0.45
MMP1 P03956 1/20 0.42
MMP13 P45452 1/20 0.42
AGTR1 P30556 1/20 0.42
USP2 O75604 1/20 0.41
TP53 P04637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TNKS2 Q9H2K2 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
GABRA1 P14867 2/20 0.40

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
SCHEMBL6509232 0.87 EDNRA (0.47) CYP2D6ALDH1A1MAPTLMNAHSD17B10
SCHEMBL19795862 0.87 CYP2D6 (0.47) CYP2D6ALDH1A1LMNATP53MEN1
SCHEMBL18012037 0.86 CYP2D6 (0.59) CYP2D6ALDH1A1LMNAMEN1POLB
SCHEMBL4681142 0.86 CYP2D6 (0.59) CYP2D6ALDH1A1LMNAMEN1POLB
SCHEMBL15676133 0.84 CYP2D6 (0.41) CYP2D6ALDH1A1MAPTLMNAHSD17B10
SCHEMBL15676135 0.84 CYP2D6 (0.41) CYP2D6ALDH1A1MAPTLMNAHSD17B10
SCHEMBL28734804 0.78 BACE1 (0.61) BACE1CYP2D6ALDH1A1MAPTLMNA
SCHEMBL28734797 0.78 BACE1 (0.61) BACE1CYP2D6ALDH1A1MAPTLMNA
SCHEMBL28734798 0.78 BACE1 (0.61) BACE1CYP2D6ALDH1A1MAPTLMNA
SCHEMBL28734796 0.78 BACE1 (0.61) BACE1CYP2D6ALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202340-B2 Glucosylceramide synthase inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-02-12 US disclosed
US-20180022697-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2018-01-25 US disclosed
US-20180022697-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2018-01-25 US disclosed
WO-2016126572-A2 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-08-11 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 (2 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-20180022697-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS AND THERAPEUTIC METHODS USING THE SAME GBA1, GBA2, GAA BACE1 456/4885CYP2D6 3646/4885ALDH1A1 2367/4885
US-10202340-B2 Glucosylceramide synthase inhibitors and therapeutic methods using the same GBA1, GBA2, GAA BACE1 456/4885CYP2D6 3646/4885ALDH1A1 2367/4885

“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.