SCHEMBL3588550

SCHEMBL3588550

COc1cc(CC(=O)O)ccc1OC1CCN(CC(O)(c2cn(CC(=O)N3CCCCC3)c3cc(C#N)ccc23)C(F)(F)F)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP14 P54578 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
KDM1A O60341 2/20 0.33
PRKAA2 P54646 3/20 0.33
CNR2 P34972 1/20 0.33
KCNH2 Q12809 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32

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
SCHEMBL3592707 0.94 MEN1 (0.40) PTGDR2PRKAA2CNR2PDE4DGPBAR1
SCHEMBL3592175 0.91 SIGMAR1 (0.35) USP14ALDH1A1PTGDR2PRKAA2CNR2
SCHEMBL16327043 0.91 PTGDR2 (0.35) USP14PTGDR2PRKAA2CNR2PDE4A
SCHEMBL3598918 0.91 GPBAR1 (0.36) USP14PTGDR2PRKAA2CNR2GPBAR1
SCHEMBL3590146 0.90 GPR6 (0.36) USP14PTGDR2PRKAA2GPBAR1SIGMAR1
SCHEMBL3589056 0.90 CNR1 (0.35) USP14PTGDR2CNR2KCNH2PDE4A
SCHEMBL3599177 0.90 PTGDR2 (0.34) PTGDR2PRKAA2CNR2GPBAR1SIGMAR1
SCHEMBL3588625 0.90 HRH2 (0.37) PTGDR2PDE4APDE4BPDE4CPDE4D
SCHEMBL3594505 0.89 PDE4A (0.35) PTGDR2PRKAA2CNR2PDE4APDE4B
SCHEMBL3597848 0.89 CNR2 (0.36) PTGDR2CNR2KCNH2GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 USP14 2578/4885ALDH1A1 4118/4885LOXL2 3462/4885

“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.