SCHEMBL19667142

SCHEMBL19667142

CC(C)(C)OC(=O)N1CCc2cc(Br)cc(OCc3ccccc3)c2C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.48
TMEM97 Q5BJF2 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
NR1H2 P55055 1/20 0.45
TLR9 Q9NR96 2/20 0.44
TLR7 Q9NYK1 2/20 0.44
YAP1 P46937 2/20 0.43
MAPK1 P28482 1/20 0.43
GHSR Q92847 4/20 0.42
PTGDR2 Q9Y5Y4 4/20 0.42
P2RX3 P56373 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL30207857 1.00 ESR2 (0.48) ESR2TMEM97SIGMAR1NR1H2TLR9
SCHEMBL23684726 0.88 PTGDR2 (0.52) ESR2TMEM97SIGMAR1NR1H2TLR9
SCHEMBL30207938 0.87 ESR2 (0.47) ESR2TMEM97SIGMAR1NR1H2TLR9
SCHEMBL30207980 0.87 ESR2 (0.47) ESR2TMEM97SIGMAR1NR1H2TLR9
SCHEMBL19667474 0.87 ESR2 (0.47) ESR2TMEM97SIGMAR1NR1H2TLR9
SCHEMBL19667245 0.87 ESR2 (0.47) ESR2TMEM97SIGMAR1NR1H2TLR9
SCHEMBL19667316 0.86 ESR2 (0.47) ESR2TMEM97SIGMAR1NR1H2TLR9
SCHEMBL19667718 0.86 ESR2 (0.47) ESR2TMEM97SIGMAR1NR1H2TLR9
SCHEMBL30207988 0.86 ESR2 (0.47) ESR2TMEM97SIGMAR1NR1H2TLR9
SCHEMBL19679224 0.86 ESR2 (0.47) ESR2TMEM97SIGMAR1NR1H2TLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464249-B1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER (US) 2021-08-11 EP disclosed
EP-3464249-B1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER (US) 2021-08-11 EP disclosed
US-10709709-B2 Substituted carbonucleoside derivatives useful as anticancer agents PFIZER INC. (US) 2020-07-14 US disclosed
US-20190111060-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2019-04-18 US disclosed
US-10220037-B2 Substituted carbonucleoside derivatives useful as anticancer agents PFIZER INC. (US) 2019-03-05 US disclosed
US-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2017-12-07 US disclosed
US-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2017-12-07 US disclosed
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 (4 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-10709709-B2 Substituted carbonucleoside derivatives useful as anticancer agents DUT, NCL, TYMP ESR2 2951/4885TMEM97 4358/4885SIGMAR1 3528/4885
US-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP ESR2 2951/4885TMEM97 4358/4885SIGMAR1 3528/4885
US-20190111060-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP ESR2 2951/4885TMEM97 4358/4885SIGMAR1 3528/4885
US-10220037-B2 Substituted carbonucleoside derivatives useful as anticancer agents DUT, NCL, TYMP ESR2 2951/4885TMEM97 4358/4885SIGMAR1 3528/4885

“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.