SCHEMBL22845189

SCHEMBL22845189

C#C[C@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H](n2cnc3c(N)nc(F)nc32)C[C@@H]1OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NT5E P21589 13/20 0.37
AHCY P23526 3/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
CHKA P35790 1/20 0.33

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
SCHEMBL29654867 1.00 NT5E (0.37) NT5EAHCYADORA3ADORA2AADORA2B
SCHEMBL21777024 1.00 NT5E (0.37) NT5EAHCYADORA3ADORA2AADORA2B
SCHEMBL28695306 0.95 NT5E (0.36) NT5EAHCYADORA3ADORA2AADORA2B
SCHEMBL28695303 0.95 NT5E (0.36) NT5EAHCYADORA3ADORA2AADORA2B
SCHEMBL28695304 0.95 NT5E (0.36) NT5EAHCYADORA3ADORA2AADORA2B
SCHEMBL21776912 0.92 NT5E (0.37) NT5EAHCYADORA3ADORA2AADORA2B
SCHEMBL21776915 0.92 NT5E (0.37) NT5EAHCYADORA3ADORA2AADORA2B
SCHEMBL29654863 0.91 NT5E (0.35) NT5EAHCYADORA3ADORA2AADORA2B
SCHEMBL23042454 0.91 NT5E (0.34) NT5EAHCYADORA3ADORA2AADORA2B
SCHEMBL29654875 0.91 NT5E (0.33) NT5EADORA3ADORA2AADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174534-A1 COMPOUNDS USEFUL IN HIV THERAPY GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2023-06-08 US disclosed
US-20220411425-A1 COMPOUNDS USEFUL IN HIV THERAPY GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-12-29 US disclosed
US-20220117993-A1 Compounds Useful in HIV Therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2022-04-21 US disclosed
US-20210323993-A1 Compounds Useful in HIV Therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2021-10-21 US disclosed
US-20200407393-A1 Medical Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2020-12-31 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 (5 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-20230174534-A1 COMPOUNDS USEFUL IN HIV THERAPY CCR5, CD4, LSS NT5E 1408/4885AHCY 1161/4885ADORA3 1498/4885
US-20210323993-A1 Compounds Useful in HIV Therapy CCR5, CD4, LSS NT5E 1285/4885AHCY 1313/4885ADORA3 1043/4885
US-20220117993-A1 Compounds Useful in HIV Therapy CCR5, CD4, ABCB1 NT5E 1640/4885AHCY 1582/4885ADORA3 1885/4885
US-20200407393-A1 Medical Use ABCB11, SLC10A1, SLC10A2 NT5E 1129/4885AHCY 3793/4885ADORA3 454/4885
US-20220411425-A1 COMPOUNDS USEFUL IN HIV THERAPY CCR5, CD4, NFATC1 NT5E 1279/4885AHCY 3003/4885ADORA3 2546/4885

“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.