SCHEMBL19684989

SCHEMBL19684989

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.39
PTGDR2 Q9Y5Y4 6/20 0.39
ADORA1 P30542 2/20 0.39
PDE4D Q08499 1/20 0.38
ACACB O00763 1/20 0.38
ESR2 Q92731 1/20 0.38
P2RX3 P56373 2/20 0.37
GRAMD1A Q96CP6 1/20 0.37
NR1H2 P55055 1/20 0.37
GPR119 Q8TDV5 2/20 0.36
MKNK1 Q9BUB5 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
SCHEMBL19684988 0.92 PDE4D (0.45) DPP4PTGDR2ADORA1PDE4DACACB
SCHEMBL19684706 0.89 ADORA1 (0.42) PTGDR2ADORA1PDE4DESR2P2RX3
SCHEMBL19684987 0.86 ESR2 (0.42) DPP4PTGDR2ADORA1PDE4DACACB
SCHEMBL19684705 0.85 MKNK1 (0.41) DPP4PTGDR2ADORA1ESR2P2RX3
SCHEMBL19667110 0.84 PTGDR2 (0.50) PTGDR2P2RX3
SCHEMBL30207823 0.83 ESR2 (0.45) DPP4PTGDR2ADORA1ESR2GRAMD1A
SCHEMBL19667380 0.83 ESR2 (0.45) DPP4PTGDR2ADORA1ESR2GRAMD1A
SCHEMBL19684982 0.79 PTGDR2 (0.36) DPP4PTGDR2ADORA1ACACBESR2
SCHEMBL19667497 0.77 PTGDR2 (0.48) PTGDR2P2RX3
SCHEMBL19667592 0.74 ESR2 (0.45) DPP4PTGDR2ADORA1PDE4DESR2

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 DPP4 3218/4885PTGDR2 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.