SCHEMBL4573154

SCHEMBL4573154

CC(C)(CCN)CNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
CA1 P00915 6/20 0.37
CA2 P00918 6/20 0.37
CA12 O43570 5/20 0.37
CA9 Q16790 5/20 0.37
EPHX1 P07099 1/20 0.37
KDM4A O75164 1/20 0.37
CA7 P43166 1/20 0.36
LATS1 O95835 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
FPR3 P25089 1/20 0.35
FPR2 P25090 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL861083 0.86 TDP1 (0.46) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL21065336 0.86 TDP1 (0.52) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL22849847 0.85 TDP1 (0.44) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL1696844 0.85 TDP1 (0.53) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL24180018 0.83 TDP1 (0.38) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL1696880 0.83 TDP1 (0.43) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL12287376 0.82 TDP1 (0.46) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL20964339 0.81 TDP1 (0.46) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL16217809 0.81 TDP1 (0.42) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL3043987 0.81 MEN1 (0.44) TDP1MAOAMAOBMEN1KMT2A

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
WO-2022253341-A1 2, 8-DIAZASPIRO [4.5] DECANE COMPOUNDS GENENTECH, INC. (US) 2022-12-08 WO disclosed
EP-3828275-A1 COMPOSITIONS AND METHODS FOR MODULATING TTR EXPRESSION Ionis Pharmaceuticals, Inc. (US) 2021-06-02 EP disclosed
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2020-09-17 US disclosed
EP-3524680-A1 COMPOSITIONS AND METHODS FOR MODULATING TTR EXPRESSION Ionis Pharmaceuticals, Inc. (US) 2019-08-14 EP disclosed
WO-2008070358-A2 N-CYCLOPROPYL-HYDROXYPROLINE-BASED TRIPEPTIDIC HEPATITIS C SERINE PROTEASE INHIBITORS CONTAINING AN ISOINDOLE, PYRROLOPYRIDINE, PYRROLOPYRIMIDINE OR PYRROLOPYRAZINE HETEROCYCLE IN THE SIDE CHAIN PHENOMIX CORPORATION (US) 2008-06-12 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 (1 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-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 TDP1 195/4885MAOA 2128/4885MAOB 2576/4885

“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.