SCHEMBL21418914

SCHEMBL21418914

CCCC(COP(=O)(O)O)NC(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 12/20 0.42
▸ S1PR3 Q99500 10/20 0.42
▸ S1PR5 Q9H228 10/20 0.42
▸ S1PR2 O95136 5/20 0.42
▸ PLA2G2A P14555 1/20 0.41
▸ PLA2G4A P47712 3/20 0.39
▸ LPAR3 Q9UBY5 1/20 0.39
▸ S1PR4 O95977 6/20 0.38

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
SCHEMBL24371662 1.00 S1PR1 (0.42) S1PR1S1PR3S1PR5S1PR2PLA2G2A
SCHEMBL24371448 0.91 PLA2G2A (0.48) S1PR1S1PR3S1PR5S1PR2PLA2G2A
SCHEMBL16574363 0.89 PLA2G2A (0.55) S1PR1S1PR3S1PR5S1PR2PLA2G2A
SCHEMBL27547888 0.80 TAS1R3 (0.44) —
SCHEMBL16575605 0.77 PLA2G2A (0.73) S1PR1S1PR3S1PR5S1PR2PLA2G2A
SCHEMBL19352538 0.75 EPHX1 (0.39) —
SCHEMBL20830172 0.75 EPHX1 (0.39) —
SCHEMBL14191546 0.74 DNM1 (0.39) —
SCHEMBL6532537 0.73 LPAR5 (0.36) S1PR1S1PR3S1PR5S1PR2PLA2G2A
SCHEMBL10627440 0.72 GPR84 (0.38) —

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 3 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-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 (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-11166973-B2 Substituted nucleotides and nucleosides for treating viral infections PNP, TYMP, HPRT1 S1PR1 1430/4885S1PR3 1893/4885S1PR5 1864/4885
US-11857560-B2 Pharmaceutical compositions comprising substituted nucleotides and nucleosides for treating viral infections SLC28A1, PNP, SLC28A2 S1PR1 378/4885S1PR3 454/4885S1PR5 633/4885
US-20190298750-A1 Nucleotide and Nucleoside Therapeutic Compositions and Uses Related Thereto PNP, NTPCR, TYMP S1PR1 1296/4885S1PR3 1462/4885S1PR5 1335/4885

“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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