SCHEMBL16867607

SCHEMBL16867607

C/C=C/[C@@H](O)[C@H](CO)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA7 P43166 1/20 0.49
▸ CTSK P43235 4/20 0.48
▸ CYP2D6 P10635 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CETP P11597 3/20 0.40
▸ THRB P10828 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ASAH1 Q13510 2/20 0.39
▸ ASAH2 Q9NR71 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CTSS P25774 1/20 0.36

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
SCHEMBL12570708 0.88 CYP2D6 (0.49) CA1CA2CA7CTSKCYP2D6
SCHEMBL19033704 0.84 CA1 (0.49) CA1CA2CA7CTSKCYP2D6
SCHEMBL21287891 0.84 CA1 (0.49) CA1CA2CA7CTSKCYP2D6
SCHEMBL16216319 0.83 MAPT (0.65) CYP2D6TP53CYP1A2MAPTCYP2C9
SCHEMBL24622146 0.81 MAPT (0.58) CYP2D6TP53CYP1A2MAPTCYP2C9
SCHEMBL12836944 0.81 MAPT (0.58) CYP2D6TP53CYP1A2MAPTCYP2C9
SCHEMBL22783119 0.81 MAPT (0.58) CYP2D6TP53CYP1A2MAPTCYP2C9
SCHEMBL20024478 0.81 CA1 (0.56) CA1CA2CA7CTSKCYP2D6
SCHEMBL16083929 0.81 MAPT (0.58) CYP2D6TP53CYP1A2MAPTCYP2C9
SCHEMBL16509431 0.81 MAPT (0.58) CYP2D6TP53CYP1A2MAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11857560-B2 Pharmaceutical compositions comprising substituted nucleotides and nucleosides for treating viral infections EMORY UNIVERSITY (US) 2024-01-02 — — US disclosed
US-20230062181-A1 ALKYNE CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY 2023-03-02 — — US disclosed
EP-3043803-B1 NUCLEOTIDE AND NUCLEOSIDE COMPOSITIONS AND THEIR USES UNIV EMORY (US) 2022-04-27 — — EP disclosed
US-11192914-B2 Alkyne containing nucleotide and nucleoside therapeutic compositions and uses related thereto EMORY UNIVERSITY (US) 2021-12-07 — — US disclosed
US-11166973-B2 Substituted nucleotides and nucleosides for treating viral infections EMORY UNIVERSITY (US) 2021-11-09 — — US disclosed
US-20210308168-A1 4'-HALOGEN CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-10-07 — — US disclosed
US-20190298750-A1 Nucleotide and Nucleoside Therapeutic Compositions and Uses Related Thereto DEFENSE THREAT REDUCTION AGENCY, US DOD 2019-10-03 — — US disclosed
US-20190144484-A1 ALKYNE CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY 2019-05-16 — — US disclosed
US-20190085013-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO UNIV EMORY (US) 2019-03-21 — — US disclosed
US-9133488-B2 Synthetic methods and compounds related thereto UNIVERSITY OF ALASKA FAIRBANKS (US) 2015-09-15 — — US disclosed
US-20150184206-A1 SYNTHETIC METHODS AND COMPOUNDS RELATED THERETO UNIVERSITY OF ALASKA FAIRBANKS 2015-07-02 — — 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 (9 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-11192914-B2 Alkyne containing nucleotide and nucleoside therapeutic compositions and uses related thereto PNP, NTPCR, TYMP CA1 4868/4885CA2 4539/4885CA7 2793/4885
US-20210308168-A1 4'-HALOGEN CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO PNP, PRPF4, HPRT1 CA1 4042/4885CA2 4067/4885CA7 3166/4885
US-11166973-B2 Substituted nucleotides and nucleosides for treating viral infections PNP, TYMP, HPRT1 CA1 4734/4885CA2 4467/4885CA7 3910/4885
US-11857560-B2 Pharmaceutical compositions comprising substituted nucleotides and nucleosides for treating viral infections SLC28A1, PNP, SLC28A2 CA1 4823/4885CA2 3698/4885CA7 3534/4885
US-20190085013-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO PNP, NTPCR, TYMP CA1 4761/4885CA2 4570/4885CA7 3457/4885
US-20190144484-A1 ALKYNE CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO TYMP, PNP, NTPCR CA1 4795/4885CA2 4449/4885CA7 3013/4885
US-20230062181-A1 ALKYNE CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO TYMP, NTPCR, PNP CA1 4821/4885CA2 4611/4885CA7 3194/4885
US-20190298750-A1 Nucleotide and Nucleoside Therapeutic Compositions and Uses Related Thereto PNP, NTPCR, TYMP CA1 4761/4885CA2 4570/4885CA7 3457/4885
US-20150184206-A1 SYNTHETIC METHODS AND COMPOUNDS RELATED THERETO LSS, CYP51A1, FASN CA1 1972/4885CA2 3622/4885CA7 2043/4885

“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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