SCHEMBL21418910

SCHEMBL21418910

CC(C)OC(=O)[C@H](C)NP(=O)(OCC1O[C@@H](n2ccc(=O)[nH]c2=S)[C@](C)(O)C1O)Oc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.73
CYP2C9 P11712 2/20 0.73
P2RY2 P41231 5/20 0.46
P2RY4 P51582 3/20 0.46
BTN3A1 O00481 1/20 0.40
P2RY14 Q15391 6/20 0.39
P2RY6 Q15077 5/20 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
SCHEMBL21418460 1.00 CYP3A4 (0.73) CYP3A4CYP2C9P2RY2P2RY4BTN3A1
SCHEMBL26975971 1.00 CYP3A4 (0.73) CYP3A4CYP2C9P2RY2P2RY4BTN3A1
SCHEMBL16575520 1.00 CYP3A4 (0.73) CYP3A4CYP2C9P2RY2P2RY4BTN3A1
SCHEMBL26976365 1.00 CYP3A4 (0.73) CYP3A4CYP2C9P2RY2P2RY4BTN3A1
SCHEMBL16575522 1.00 CYP3A4 (0.73) CYP3A4CYP2C9P2RY2P2RY4BTN3A1
SCHEMBL21418671 1.00 CYP3A4 (0.73) CYP3A4CYP2C9P2RY2P2RY4BTN3A1
SCHEMBL16575521 1.00 CYP3A4 (0.73) CYP3A4CYP2C9P2RY2P2RY4BTN3A1
SCHEMBL21418462 1.00 CYP3A4 (0.73) CYP3A4CYP2C9P2RY2P2RY4BTN3A1
SCHEMBL21418609 0.94 CYP3A4 (0.65) CYP3A4CYP2C9P2RY2P2RY4BTN3A1
SCHEMBL16576320 0.94 CYP3A4 (0.65) CYP3A4CYP2C9P2RY2P2RY4BTN3A1

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 CYP3A4 2565/4885CYP2C9 2155/4885P2RY2 316/4885
US-11857560-B2 Pharmaceutical compositions comprising substituted nucleotides and nucleosides for treating viral infections SLC28A1, PNP, SLC28A2 CYP3A4 2123/4885CYP2C9 1374/4885P2RY2 89/4885
US-20190298750-A1 Nucleotide and Nucleoside Therapeutic Compositions and Uses Related Thereto PNP, NTPCR, TYMP CYP3A4 4033/4885CYP2C9 3766/4885P2RY2 452/4885

“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.