SCHEMBL20830134

SCHEMBL20830134

C[C@H]1OC(C)(C)O[C@H]1[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.36
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SMYD2 Q9NRG4 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MMP2 P08253 2/20 0.31
▸ MMP9 P14780 2/20 0.31
▸ PPARD Q03181 1/20 0.30
▸ PPARA Q07869 1/20 0.30

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
SCHEMBL20830130 0.87 PPARA (0.37) CYP3A4PPARDPPARA
SCHEMBL15948786 0.85 CTSK (0.37) CYP3A4HTTSMN1; SMN2SMYD2ALDH1A1
SCHEMBL22808138 0.74 ATM (0.42) CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL17972402 0.74 CTSK (0.39) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL20830178 0.73 PGD (0.36) —
SCHEMBL20830131 0.73 MMP2 (0.31) MMP2MMP9
SCHEMBL20830060 0.72 ALDH1A1 (0.33) CYP3A4HTTSMN1; SMN2SMYD2ALDH1A1
SCHEMBL15948875 0.72 CTSK (0.37) CYP3A4
SCHEMBL20830062 0.71 — —
SCHEMBL15948723 0.70 PRSS1 (0.40) —

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 7 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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 CYP3A4 4055/4885HTT 1924/4885SMN1; SMN2 1180/4885
US-11166973-B2 Substituted nucleotides and nucleosides for treating viral infections PNP, TYMP, HPRT1 CYP3A4 2565/4885HTT 1767/4885SMN1; SMN2 850/4885
US-11857560-B2 Pharmaceutical compositions comprising substituted nucleotides and nucleosides for treating viral infections SLC28A1, PNP, SLC28A2 CYP3A4 2123/4885HTT 2062/4885SMN1; SMN2 140/4885
US-20190085013-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO PNP, NTPCR, TYMP CYP3A4 4033/4885HTT 1043/4885SMN1; SMN2 1254/4885
US-20190144484-A1 ALKYNE CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO TYMP, PNP, NTPCR CYP3A4 4119/4885HTT 937/4885SMN1; SMN2 1513/4885
US-20230062181-A1 ALKYNE CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO TYMP, NTPCR, PNP CYP3A4 3879/4885HTT 1163/4885SMN1; SMN2 1752/4885
US-20190298750-A1 Nucleotide and Nucleoside Therapeutic Compositions and Uses Related Thereto PNP, NTPCR, TYMP CYP3A4 4033/4885HTT 1043/4885SMN1; SMN2 1254/4885

“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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