SCHEMBL6509232

SCHEMBL6509232

COc1ccc([C@H]2OC(=O)N[C@@H]2C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.47
EDNRB P24530 1/20 0.47
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MMP1 P03956 1/20 0.43
MMP13 P45452 1/20 0.43
USP2 O75604 1/20 0.42
TP53 P04637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TNKS2 Q9H2K2 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2D6 P10635 1/20 0.41
GRM5 P41594 1/20 0.41

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
SCHEMBL18011995 0.87 BACE1 (0.46) EDNRAEDNRBALDH1A1MAPTLMNA
SCHEMBL15676211 0.84 MAPT (0.40) ALDH1A1MAPTLMNAHSD17B10MMP13
SCHEMBL11430937 0.83 ALDH1A1 (0.47) ALDH1A1MAPTKDM4ETHRBHPGD
SCHEMBL9321602 0.82 GRM5 (0.46) EDNRAALDH1A1MAPTLMNAUSP2
SCHEMBL7527637 0.82 GRM5 (0.46) EDNRAALDH1A1MAPTLMNAUSP2
SCHEMBL7899177 0.80 CYP2C9 (0.43) ALDH1A1LMNAUSP2KDM4EMEN1
SCHEMBL15675996 0.78 ALDH1A1 (0.41) EDNRAALDH1A1MAPTLMNAHSD17B10
SCHEMBL6508594 0.78 ALDH1A1 (0.41) EDNRAALDH1A1MAPTLMNAHSD17B10
SCHEMBL17966098 0.78 ALDH1A1 (0.41) EDNRAALDH1A1MAPTLMNAHSD17B10
SCHEMBL15676197 0.76 TNKS2 (0.41) ALDH1A1MAPTLMNAHSD17B10TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3253734-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2020-12-23 EP disclosed
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
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
WO-2005056543-A2 PROCESS FOR USE IN THE PREPARATION OF OXIRANES FROM ALKENES, AND CATALYSTS FOR USE THEREIN AVECIA PHARMACEUTICALS LIMITED (GB) 2005-06-23 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 EDNRA 4262/4885EDNRB 3707/4885ALDH1A1 2367/4885
US-10202340-B2 Glucosylceramide synthase inhibitors and therapeutic methods using the same GBA1, GBA2, GAA EDNRA 4262/4885EDNRB 3707/4885ALDH1A1 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.