SCHEMBL15775751

SCHEMBL15775751

COC(=O)c1cn(CCNC(=O)OC(C)(C)C)nn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
DRD2 P14416 4/20 0.41
GFER P55789 1/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
KLKB1 P03952 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.38
BCHE P06276 1/20 0.38
BRD4 O60885 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
MALT1 Q9UDY8 1/20 0.37

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
SCHEMBL15775835 0.93 ALDH1A1 (0.46) ALDH1A1DRD2GFERGAATDP1
SCHEMBL15775419 0.88 ALDH1A1 (0.43) ALDH1A1DRD2GFERGAATDP1
SCHEMBL17396731 0.83 MGAM (0.41) ALDH1A1MGAMGAASIMGAM2
SCHEMBL23766181 0.81 ALDH1A1 (0.51) ALDH1A1DRD2GFERTDP1HTT
SCHEMBL17273760 0.79 HDAC3 (0.51) DRD2
SCHEMBL30803496 0.79 ALDH1A1 (0.48) ALDH1A1DRD2GFERTDP1BRD4
SCHEMBL21670036 0.79 MGAM (0.41) ALDH1A1MGAMGAASIMGAM2
SCHEMBL20130790 0.79 ALDH1A1 (0.42) ALDH1A1DRD2GFERGAATDP1
SCHEMBL18605891 0.79 ALDH1A1 (0.49) ALDH1A1DRD2GFERGAATDP1
SCHEMBL28017558 0.79 ALDH1A1 (0.42) ALDH1A1DRD2GFERGAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210369853-A1 TARGETED PROTEASE DEGRADATION PLATFORM EUBULUS BIOTHERAPEUTICS INC. (CN) 2021-12-02 US disclosed
EP-3865152-A1 TARGETED PROTEASE DEGRADATION PLATFORM Eubulus Biotherapeutics Inc. (CN) 2021-08-18 EP disclosed
EP-2925765-B1 SUBSTITUTED TRIAZOLE BORONIC ACID COMPOUNDS HOFFMANN LA ROCHE (CH) 2016-12-14 EP disclosed
US-9464098-B2 Substituted triazole boronic acid compounds HOFFMANN-LA ROCHE INC. (US) 2016-10-11 US disclosed
US-20150329565-A1 SUBSTITUTED TRIAZOLE BORONIC ACID COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2015-11-19 US disclosed
US-20150299143-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2015-10-22 US disclosed
US-20150299143-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2015-10-22 US disclosed
US-20150299143-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2015-10-22 US disclosed
EP-2925765-A1 SUBSTITUTED TRIAZOLE BORONIC ACID COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-10-07 EP disclosed
EP-2925746-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-10-07 EP disclosed
WO-2014086664-A1 SUBSTITUTED TRIAZOLE BORONIC ACID COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 WO disclosed
WO-2014086663-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 WO disclosed
WO-2014086663-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 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 (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-20150329565-A1 SUBSTITUTED TRIAZOLE BORONIC ACID COMPOUNDS HDAC7, PSMB7, MALT1 ALDH1A1 1657/4885DRD2 4363/4885GFER 4161/4885
US-20150299143-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS HDAC7, PSMB7, IKZF3 ALDH1A1 1540/4885DRD2 4508/4885GFER 4667/4885
US-20210369853-A1 TARGETED PROTEASE DEGRADATION PLATFORM PSMB1, MDM2, XIAP ALDH1A1 2585/4885DRD2 4439/4885GFER 3318/4885

“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.