SCHEMBL21989231

SCHEMBL21989231

CC(C)(C)OC(=O)N1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccc(B3OC(C)(C)C(C)(C)O3)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.48
BIRC2 Q13490 1/20 0.48
HDAC1 Q13547 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
P2RY1 P47900 1/20 0.41
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NPC1L1 Q9UHC9 1/20 0.39
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
ENPP2 Q13822 2/20 0.37
ATXN2 Q99700 2/20 0.37
TACR1 P25103 1/20 0.37
HTT P42858 1/20 0.37
USP30 Q70CQ3 2/20 0.36
NPC1 O15118 2/20 0.36

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
SCHEMBL20954995 0.85 XIAP (0.52) XIAPBIRC2HDAC1HDAC8HDAC6
SCHEMBL20955412 0.85 XIAP (0.64) XIAPBIRC2HDAC1HDAC8HDAC6
SCHEMBL2800892 0.84 HDAC1 (0.56) XIAPBIRC2HDAC1HDAC8HDAC6
SCHEMBL20954809 0.84 HDAC1 (0.51) XIAPBIRC2HDAC1HDAC8HDAC6
SCHEMBL8221795 0.81 HDAC1 (0.56) XIAPBIRC2HDAC1HDAC8HDAC6
SCHEMBL15676881 0.79 HDAC1 (0.47) XIAPBIRC2HDAC1HDAC8HDAC6
SCHEMBL20955233 0.79 SCN5A (0.52) XIAPBIRC2HDAC1HDAC8HDAC6
SCHEMBL20955202 0.79 XIAP (0.46) XIAPBIRC2HDAC1HDAC8HDAC6
SCHEMBL20955009 0.79 XIAP (0.45) XIAPBIRC2HDAC1HDAC8HDAC6
SCHEMBL20954935 0.79 HDAC1 (0.47) XIAPBIRC2HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof RIKEN (JP) 2022-08-16 US disclosed
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2020-06-04 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 (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-11414429-B2 Compound or pharmaceutically acceptable salt thereof DPP8, DPP7, AZI2 XIAP 4272/4885BIRC2 4704/4885HDAC1 42/4885
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DPP8, DPP7, AZI2 XIAP 4200/4885BIRC2 4644/4885HDAC1 27/4885

“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.