SCHEMBL22337042

SCHEMBL22337042

CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)C(N(Cc3ccccc3)Cc3ccccc3)C2O[Si](C)(C)C(C)(C)C)c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.43
▸ TAS1R3 Q7RTX0 2/20 0.42
▸ TAS1R1 Q7RTX1 2/20 0.42
▸ HINT1 P49773 3/20 0.40
▸ NT5E P21589 2/20 0.39
▸ TAAR1 Q96RJ0 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ FUT6 P51993 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ IMPDH2 P12268 1/20 0.35
▸ ACHE P22303 1/20 0.34

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
SCHEMBL22337234 1.00 KDM4E (0.43) KDM4ETAS1R3TAS1R1HINT1NT5E
SCHEMBL26808591 0.93 KDM4E (0.44) KDM4ETAS1R3TAS1R1HINT1NT5E
SCHEMBL26808602 0.93 KDM4E (0.48) KDM4ETAS1R3TAS1R1HINT1NT5E
SCHEMBL22337050 0.93 KDM4E (0.48) KDM4ETAS1R3TAS1R1HINT1NT5E
SCHEMBL22337175 0.85 HINT1 (0.49) TAS1R3TAS1R1HINT1NT5ETAAR1
SCHEMBL25107034 0.85 TAS1R3 (0.53) KDM4ETAS1R3TAS1R1HINT1NT5E
SCHEMBL29664919 0.85 TAS1R3 (0.53) KDM4ETAS1R3TAS1R1HINT1NT5E
SCHEMBL24512507 0.85 TAS1R3 (0.53) KDM4ETAS1R3TAS1R1HINT1NT5E
SCHEMBL29870610 0.85 TAS1R3 (0.53) KDM4ETAS1R3TAS1R1HINT1NT5E
SCHEMBL24512513 0.85 KDM4E (0.48) KDM4ETAS1R3TAS1R1HINT1ALDH1A1

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-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
WO-2020163415-A1 SYNTHESIS OF 1,2,5-TRI-0-BENZ0YL-3-DIBENZYLAMIN0-3-DE0XYRIB0SE AS INTERMEDIATE FOR PRODUCING 3'-AMINO-3'-DEOXYADENOSINE AND 3'-AMINO-3'-DEOXYGUANOSINE AND THE PROTECTED DERIVATIVES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-13 — — WO 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 KDM4E 1990/4885TAS1R3 484/4885TAS1R1 728/4885

“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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