SCHEMBL21418923

SCHEMBL21418923

CC(=O)OC1O[C@](CF)(COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 2/20 0.35
▸ PRKCA P17252 1/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ GSTP1 P09211 2/20 0.34
▸ METAP2 P50579 2/20 0.33
▸ NT5E P21589 1/20 0.33
▸ CAPN1 P07384 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL17958889 1.00 ALDH1A1 (0.36) ALDH1A1LMNAPRKCACYP2D6MAPK1
SCHEMBL6834854 1.00 ALDH1A1 (0.36) ALDH1A1LMNAPRKCACYP2D6MAPK1
SCHEMBL30590044 1.00 ALDH1A1 (0.36) ALDH1A1LMNAPRKCACYP2D6MAPK1
SCHEMBL23152976 0.90 ALDH1A1 (0.37) ALDH1A1LMNAPRKCACYP2D6MAPK1
SCHEMBL20756448 0.90 ALDH1A1 (0.37) ALDH1A1LMNAPRKCACYP2D6MAPK1
SCHEMBL25400002 0.89 ALDH1A1 (0.36) ALDH1A1LMNAPRKCACYP2D6MAPK1
SCHEMBL25400006 0.89 ALDH1A1 (0.36) ALDH1A1LMNAPRKCACYP2D6MAPK1
SCHEMBL25400372 0.89 ALDH1A1 (0.36) ALDH1A1LMNAPRKCACYP2D6MAPK1
SCHEMBL1098278 0.89 ALDH1A1 (0.42) ALDH1A1LMNAPRKCACYP2D6MAPK1
SCHEMBL30689531 0.89 ALDH1A1 (0.36) ALDH1A1LMNAPRKCACYP2D6MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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

For each of this compound's patents that has machine-readable text (2 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-11166973-B2 Substituted nucleotides and nucleosides for treating viral infections PNP, TYMP, HPRT1 ALDH1A1 996/4885LMNA 2780/4885PRKCA 2782/4885
US-20190298750-A1 Nucleotide and Nucleoside Therapeutic Compositions and Uses Related Thereto PNP, NTPCR, TYMP ALDH1A1 1897/4885LMNA 2417/4885PRKCA 2823/4885

“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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