SCHEMBL14735277

SCHEMBL14735277

COc1ccc2c(c1C#CC1CCN(C(=O)OC(C)(C)C)CC1)OCC2=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH2 P05091 1/20 0.42
▸ STS P08842 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PDE4B Q07343 4/20 0.40
▸ PDE4A P27815 2/20 0.40
▸ PDE4C Q08493 2/20 0.40
▸ PDE4D Q08499 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GPR119 Q8TDV5 6/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ PTPN2 P17706 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ PTPN6 P29350 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
SCHEMBL14887070 0.89 STS (0.40) STSMEN1KMT2APDE4BPDE4A
SCHEMBL14735000 0.86 GPR119 (0.41) STSMEN1KMT2APDE4BPDE4A
SCHEMBL14735601 0.85 GPR119 (0.42) STSMEN1KMT2APDE4BPDE4A
SCHEMBL14735497 0.83 MAPT (0.39) ALDH2ALDH1A1GPR119KDM4EMAPT
SCHEMBL14735244 0.83 MEN1 (0.37) STSMEN1KMT2APDE4BPDE4A
SCHEMBL14735473 0.82 MEN1 (0.47) STSMEN1KMT2APDE4BPDE4A
SCHEMBL14734959 0.82 MMP2 (0.41) STSMEN1KMT2APDE4BPDE4A
SCHEMBL14735273 0.80 PDE4B (0.50) STSMEN1KMT2APDE4BPDE4A
SCHEMBL14735402 0.80 CHRM2 (0.38) STSMEN1KMT2APDE4BPDE4A
SCHEMBL14735393 0.80 GPR119 (0.43) STSMEN1KMT2APDE4BPDE4A

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-2565192-B9 ANTICANCER AGENT UNIV TOKYO (JP) 2015-11-25 — — EP disclosed
US-9156827-B2 Anticancer agent THE UNIVERSITY OF TOKYO (JP) 2015-10-13 — — US disclosed
EP-2565192-B1 ANTICANCER AGENT UNIV TOKYO (JP) 2015-08-12 — — EP disclosed
US-20130102776-A1 ANTICANCER AGENT RIKEN (JP) 2013-04-25 — — US disclosed
EP-2565192-A1 ANTICANCER AGENT The University of Tokyo (JP) 2013-03-06 — — EP 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-20130102776-A1 ANTICANCER AGENT PIM1, PIM3, PIM2 ALDH2 1576/4885STS 3492/4885MEN1 2639/4885

“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.

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