SCHEMBL19684988

SCHEMBL19684988

CCCCOc1cc(OC(F)F)c(F)c2c1CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.39
ADORA1 P30542 2/20 0.39
ESR2 Q92731 1/20 0.38
DPP4 P27487 1/20 0.37
NR1H2 P55055 1/20 0.37
GPR119 Q8TDV5 2/20 0.36
ACACB O00763 1/20 0.36
P2RX3 P56373 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
MKNK1 Q9BUB5 3/20 0.35
ABHD6 Q9BV23 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL19684989 0.92 DPP4 (0.39) PDE4DPTGDR2ADORA1ESR2DPP4
SCHEMBL19684706 0.89 ADORA1 (0.42) PDE4DPTGDR2ADORA1ESR2NR1H2
SCHEMBL19684987 0.86 ESR2 (0.42) PDE4DPTGDR2ADORA1ESR2DPP4
SCHEMBL19684705 0.85 MKNK1 (0.41) PTGDR2ADORA1ESR2DPP4NR1H2
SCHEMBL19667497 0.84 PTGDR2 (0.48) PTGDR2P2RX3
SCHEMBL19667592 0.83 ESR2 (0.45) PDE4DPTGDR2ADORA1ESR2DPP4
SCHEMBL30207854 0.83 ESR2 (0.45) PDE4DPTGDR2ADORA1ESR2DPP4
SCHEMBL19684982 0.79 PTGDR2 (0.36) PTGDR2ADORA1ESR2DPP4NR1H2
SCHEMBL19667110 0.77 PTGDR2 (0.50) PTGDR2P2RX3
SCHEMBL19667380 0.74 ESR2 (0.45) PTGDR2ADORA1ESR2DPP4NR1H2

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-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2017-12-07 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-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP PDE4D 3745/4885PTGDR2 4262/4885ADORA1 2833/4885

“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.