SCHEMBL19684982

SCHEMBL19684982

CCCCOc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c2c1CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.36
USP30 Q70CQ3 1/20 0.35
ESR2 Q92731 1/20 0.35
NR1H2 P55055 1/20 0.34
ADORA1 P30542 2/20 0.34
GPR119 Q8TDV5 3/20 0.34
P2RX3 P56373 2/20 0.34
MKNK1 Q9BUB5 3/20 0.33
ABHD6 Q9BV23 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
DPP4 P27487 1/20 0.33
ACACB O00763 1/20 0.33

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
SCHEMBL19667478 0.85 PTGDR2 (0.41) PTGDR2NR1H2P2RX3
SCHEMBL19684987 0.82 ESR2 (0.42) PTGDR2ESR2NR1H2ADORA1GPR119
SCHEMBL19684706 0.81 ADORA1 (0.42) PTGDR2ESR2NR1H2ADORA1GPR119
SCHEMBL19684705 0.81 MKNK1 (0.41) PTGDR2ESR2NR1H2ADORA1GPR119
SCHEMBL19684988 0.79 PDE4D (0.45) PTGDR2ESR2NR1H2ADORA1GPR119
SCHEMBL19684989 0.79 DPP4 (0.39) PTGDR2ESR2NR1H2ADORA1GPR119
SCHEMBL22787765 0.77 ESR2 (0.38) USP30ESR2NR1H2ADORA1GPR119
SCHEMBL29522675 0.77 ESR2 (0.38) USP30ESR2NR1H2ADORA1GPR119
SCHEMBL19949084 0.75 MAPT (0.42) USP30ESR2NR1H2ADORA1P2RX3
SCHEMBL38653270 0.75 ESR2 (0.41) PTGDR2USP30ESR2NR1H2ADORA1

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 PTGDR2 4262/4885USP30 2696/4885ESR2 2951/4885

“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.