SCHEMBL14735497

SCHEMBL14735497

COc1c(F)cc2c(c1C#CC1CCN(C(=O)OC(C)(C)C)CC1)OCC2=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ ALDH2 P05091 1/20 0.39
▸ DPP4 P27487 1/20 0.37
▸ GPR119 Q8TDV5 14/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL14735277 0.83 ALDH2 (0.42) MAPTKDM4ETHRBALDH2GPR119
SCHEMBL14735051 0.79 GPR119 (0.44) MAPTKDM4ETHRBDPP4GPR119
SCHEMBL14887070 0.73 STS (0.40) MAPTKDM4ETHRBGPR119ALDH1A1
SCHEMBL25941307 0.71 DPP4 (0.46) MAPTKDM4ETHRBALDH2DPP4
SCHEMBL30493204 0.71 DPP4 (0.46) MAPTKDM4ETHRBALDH2DPP4
SCHEMBL14735000 0.70 GPR119 (0.41) KDM4EGPR119ALDH1A1
SCHEMBL14735601 0.70 GPR119 (0.42) KDM4EGPR119ALDH1A1
SCHEMBL14735273 0.68 PDE4B (0.50) GPR119ALDH1A1
SCHEMBL18864007 0.68 GPR119 (0.46) KDM4EDPP4GPR119
SCHEMBL14735473 0.68 MEN1 (0.47) MAPTKDM4ETHRBGPR119ALDH1A1

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 MAPT 4754/4885KDM4E 540/4885THRB 4043/4885

“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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