SCHEMBL21418922

SCHEMBL21418922

CC(=O)OCC1O[C@@H](n2ccc(=S)[nH]c2=O)C(C)(OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 4/20 0.38
P2RY4 P51582 4/20 0.38
P2RY6 Q15077 4/20 0.38
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
TSHR P16473 1/20 0.33
P2RY14 Q15391 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HSD17B10 Q99714 1/20 0.31
POLA1 P09884 1/20 0.31
PTPN1 P18031 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PRKCA P17252 2/20 0.31
AKT1 P31749 2/20 0.31
PTK2 Q05397 2/20 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
SCHEMBL21418880 1.00 P2RY2 (0.38) P2RY2P2RY4P2RY6LMNATHRB
SCHEMBL16575900 1.00 P2RY2 (0.38) P2RY2P2RY4P2RY6LMNATHRB
SCHEMBL12805526 0.90 P2RY2 (0.44) P2RY2P2RY4P2RY6LMNATHRB
SCHEMBL16575898 0.90 P2RY2 (0.44) P2RY2P2RY4P2RY6LMNATHRB
SCHEMBL21418879 0.90 P2RY2 (0.44) P2RY2P2RY4P2RY6LMNATHRB
SCHEMBL21418884 0.90 P2RY2 (0.44) P2RY2P2RY4P2RY6LMNATHRB
SCHEMBL21418916 0.90 P2RY2 (0.44) P2RY2P2RY4P2RY6LMNATHRB
SCHEMBL12966484 0.90 P2RY2 (0.44) P2RY2P2RY4P2RY6LMNATHRB
SCHEMBL21418899 0.87 CYP3A4 (0.38) P2RY2P2RY4P2RY6LMNATHRB
SCHEMBL21418898 0.87 CYP3A4 (0.38) P2RY2P2RY4P2RY6LMNATHRB

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 P2RY2 316/4885P2RY4 230/4885P2RY6 319/4885
US-20190298750-A1 Nucleotide and Nucleoside Therapeutic Compositions and Uses Related Thereto PNP, NTPCR, TYMP P2RY2 452/4885P2RY4 288/4885P2RY6 371/4885

“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.