SCHEMBL2387458

SCHEMBL2387458

CCOC(=O)c1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.47
HDAC1 Q13547 1/20 0.46
HSD11B1 P28845 1/20 0.44
PARP1 P09874 1/20 0.43
HTT P42858 3/20 0.43
HPGD P15428 2/20 0.43
RET P07949 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HSP90AA1 P07900 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RAB9A P51151 1/20 0.39
F13A1 P00488 1/20 0.39
TGM2 P21980 1/20 0.39
TGM1 P22735 1/20 0.39

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
SCHEMBL17869737 1.00 GPR119 (0.47) GPR119HDAC1HSD11B1PARP1HTT
SCHEMBL21250692 0.91 GPR119 (0.47) GPR119HDAC1HTTHPGDALDH1A1
SCHEMBL3498139 0.85 HDAC1 (0.49) GPR119HDAC1HSD11B1PARP1RET
SCHEMBL4530941 0.85 HDAC1 (0.49) GPR119HDAC1HSD11B1PARP1RET
SCHEMBL8220205 0.85 HTT (0.48) HTTHPGDALDH1A1HSP90AA1CACNA1B
SCHEMBL25899695 0.85 GPR119 (0.50) GPR119HDAC1HSD11B1PARP1RET
SCHEMBL31235483 0.84 GPR119 (0.53) GPR119HDAC1HSD11B1PARP1RET
SCHEMBL2144294 0.83 GPR119 (0.57) GPR119HDAC1HSD11B1PARP1RET
SCHEMBL2299596 0.83 GPR119 (0.57) GPR119HDAC1HSD11B1PARP1RET
SCHEMBL23551511 0.82 GPR119 (0.50) GPR119HDAC1HSD11B1PARP1RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-09-29 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 (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-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 GPR119 2833/4885HDAC1 416/4885HSD11B1 4012/4885

“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.