SCHEMBL16991567

SCHEMBL16991567

CC1(C)O[C@H]2O[C@@](COCc3ccccc3)(C(F)F)[C@@H](OCc3ccccc3)[C@H]2O1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ IDO1 P14902 1/20 0.31

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
SCHEMBL26123724 0.92 MEN1 (0.33) MEN1KMT2ATSHRALDH1A1IDO1
SCHEMBL20484797 0.87 KMT2A (0.37) MEN1KMT2ATSHRALDH1A1IDO1
SCHEMBL25911629 0.87 KMT2A (0.37) MEN1KMT2ATSHRALDH1A1IDO1
SCHEMBL21085574 0.87 KMT2A (0.37) MEN1KMT2ATSHRALDH1A1IDO1
SCHEMBL1059333 0.87 KMT2A (0.37) MEN1KMT2ATSHRALDH1A1IDO1
SCHEMBL25399637 0.87 MEN1 (0.34) MEN1KMT2AALDH1A1IDO1
SCHEMBL25399632 0.87 MEN1 (0.34) MEN1KMT2AALDH1A1IDO1
SCHEMBL25401590 0.83 — —
SCHEMBL25401583 0.83 — —
SCHEMBL20394069 0.83 BCHE (0.34) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3102215-B1 4'-DIFLUOROMETHYL SUBSTITUTED NUCLEOSIDE DERIVATIVES AS INHIBITORS OF INFLUENZA RNA REPLICATION RIBOSCIENCE LLC (US) 2021-06-16 — — EP disclosed
CN-105979951-B 4' -difluoromethyl substituted nucleoside derivatives as inhibitors of influenza RNA replication 里博科学有限责任公司 2020-12-25 — — CN disclosed
US-10092649-B2 4′-difluoromethyl substituted nucleoside derivatives as inhibitors of influenza RNA replication RIBOSCIENCE LLC (US) 2018-10-09 — — US disclosed
US-20170296664-A1 4'-Difluoromethyl Substituted Nucleoside Derivatives as Inhibitors of Influenza RNA Replication RIBOSCIENCE LLC 2017-10-19 — — US disclosed
US-20170296664-A1 4'-Difluoromethyl Substituted Nucleoside Derivatives as Inhibitors of Influenza RNA Replication RIBOSCIENCE LLC 2017-10-19 — — US disclosed
EP-3102215-A2 4'-DIFLUOROMETHYL SUBSTITUTED NUCLEOSIDE DERIVATIVES AS INHIBITORS OF INFLUENZA RNA REPLICATION Riboscience LLC (US) 2016-12-14 — — EP disclosed
US-9370569-B2 4′-difluoromethyl substituted nucleoside derivatives as inhibitors of influenza RNA replication RIBOSCIENCE LLC (US) 2016-06-21 — — US disclosed
WO-2015120237-A2 4'-DIFLUOROMETHYL SUBSTITUTED NUCLEOSIDE DERIVATIVES AS INHIBITORS OF INFLUENZA RNA REPLICATION RIBOSCIENCE LLC (US) 2015-08-13 — — WO disclosed
US-20150225441-A1 4'-Difluoromethyl Substituted Nucleoside Derivatives as Inhibitors of Influenza RNA Replication RIBOSCIENCE LLC 2015-08-13 — — 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 (3 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-20150225441-A1 4'-Difluoromethyl Substituted Nucleoside Derivatives as Inhibitors of Influenza RNA Replication RNMT, DUT, RNGTT MEN1 4578/4885KMT2A 1586/4885TSHR 3167/4885
US-10092649-B2 4′-difluoromethyl substituted nucleoside derivatives as inhibitors of influenza RNA replication RNMT, RNGTT, DUT MEN1 4580/4885KMT2A 1545/4885TSHR 3159/4885
US-20170296664-A1 4'-Difluoromethyl Substituted Nucleoside Derivatives as Inhibitors of Influenza RNA Replication RNMT, DUT, RNGTT MEN1 4578/4885KMT2A 1586/4885TSHR 3167/4885

“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.

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