SCHEMBL21905178

SCHEMBL21905178

COO[C@@H]1[C@@H](O)[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 2/20 0.62
▸ TYMP P19971 8/20 0.62
▸ NT5E P21589 1/20 0.51
▸ TRDMT1 O14717 1/20 0.47

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
SCHEMBL18042131 0.94 ADORA1 (0.64) ADORA1TYMPNT5ETRDMT1
SCHEMBL15993919 0.91 ADORA1 (0.75) ADORA1TYMPTRDMT1
SCHEMBL1068571 0.91 ADORA1 (0.75) ADORA1TYMPTRDMT1
SCHEMBL16715145 0.91 ADORA1 (0.75) ADORA1TYMPTRDMT1
SCHEMBL8359104 0.91 ADORA1 (0.75) ADORA1TYMPTRDMT1
SCHEMBL1068575 0.89 ADORA1 (0.64) ADORA1TYMPNT5ETRDMT1
SCHEMBL29799117 0.89 NT5E (0.65) ADORA1TYMPNT5E
SCHEMBL6394672 0.88 TYMP (0.58) ADORA1TYMPNT5E
SCHEMBL6394822 0.88 TYMP (0.58) ADORA1TYMPNT5E
SCHEMBL22930672 0.85 TYMP (0.61) ADORA1TYMPNT5ETRDMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12269839-B2 Chiral phosphoramidite auxiliaries and methods of their use SIRIUS THERAPEUTICS, INC. (US) 2025-04-08 — — US disclosed
US-20230242567-A1 CHIRAL PHOSPHORAMIDITE AUXILIARIES AND METHODS OF THEIR USE SIRIUS THERAPEUTICS, INC. 2023-08-03 — — US disclosed
US-11597744-B2 Chiral phosphoramidite auxiliaries and methods of their use SIRIUS THERAPEUTICS, INC. (US) 2023-03-07 — — US disclosed
US-20200140476-A1 CHIRAL PHOSPHORAMIDITE AUXILIARIES AND METHODS OF THEIR USE SIRIUS THERAPEUTICS, INC. 2020-05-07 — — 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 (4 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-20230242567-A1 CHIRAL PHOSPHORAMIDITE AUXILIARIES AND METHODS OF THEIR USE PNP, PCNA, NUDT14 ADORA1 952/4885TYMP 4/4885NT5E 474/4885
US-12269839-B2 Chiral phosphoramidite auxiliaries and methods of their use PNP, PCNA, NUDT14 ADORA1 952/4885TYMP 4/4885NT5E 474/4885
US-11597744-B2 Chiral phosphoramidite auxiliaries and methods of their use TYMP, PNP, PCNA ADORA1 294/4885TYMP 1/4885NT5E 359/4885
US-20200140476-A1 CHIRAL PHOSPHORAMIDITE AUXILIARIES AND METHODS OF THEIR USE PNP, PCNA, NUDT14 ADORA1 952/4885TYMP 4/4885NT5E 474/4885

“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.

Send feedback