SCHEMBL26808331

SCHEMBL26808331

CC[C@H]1O[C@@H](n2cnc3c(N[Si](C)(C)C(C)(C)C)ncnc32)C(O[Si](C)(C)C(C)(C)C)[C@H]1CCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 10/20 0.45
▸ ADORA2A P29274 5/20 0.45
▸ ADORA1 P30542 4/20 0.45
▸ NFKB1 P19838 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ THPO P40225 1/20 0.45
▸ TP53 P04637 2/20 0.42
▸ SLC29A1 Q99808 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL26808211 1.00 ADORA3 (0.45) ADORA3ADORA2AADORA1NFKB1TSHR
SCHEMBL26808378 0.88 PRMT6 (0.47) ADORA3ADORA2AADORA1NFKB1TSHR
SCHEMBL26808233 0.88 PRMT6 (0.47) ADORA3ADORA2AADORA1NFKB1TSHR
SCHEMBL26808329 0.87 ADORA1 (0.50) ADORA3ADORA2AADORA1SLC29A1ADORA2B
SCHEMBL26808212 0.87 ADORA1 (0.50) ADORA3ADORA2AADORA1SLC29A1ADORA2B
SCHEMBL26808536 0.86 ADORA3 (0.42) ADORA3ADORA2AADORA1NFKB1TSHR
SCHEMBL26808466 0.84 MEN1 (0.41) ADORA3SLC29A1
SCHEMBL26808216 0.81 LMNA (0.52) ADORA3ADORA2AADORA1NFKB1TSHR
SCHEMBL26808236 0.81 LMNA (0.52) ADORA3ADORA2AADORA1NFKB1TSHR
SCHEMBL19941882 0.77 ATM (0.48) ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357306-A1 SYNTHESIS OF 1,2,5-TRI-O-BENZOYL-3-DIBENZYLAMINO-3-DEOXYRIBOSE AS INTERMEDIATE FOR PRODUCING 3'-AMINO-3'-DEOXYADENOSINE AND 3'-AMINO-3'-DEOXYGUANOSINE AND THE PROTECTED DERIVATIVES THEREOF BRISTOL MYERS SQUIBB CO (US) 2023-11-09 — — 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 (1 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-20230357306-A1 SYNTHESIS OF 1,2,5-TRI-O-BENZOYL-3-DIBENZYLAMINO-3-DEOXYRIBOSE AS INTERMEDIATE FOR PRODUCING 3'-AMINO-3'-DEOXYADENOSINE AND 3'-AMINO-3'-DEOXYGUANOSINE AND THE PROTECTED DERIVATIVES THEREOF STING1, CGAS, AMPD3 ADORA3 38/4885ADORA2A 40/4885ADORA1 69/4885

“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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