SCHEMBL26808564

SCHEMBL26808564

CC[C@H]1O[C@@H](n2cnc3c(Cl)nc(N)nc32)C(OC(=O)c2ccccc2)[C@H]1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.45
P2RY11 Q96G91 2/20 0.44
P2RX3 P56373 2/20 0.43
P2RX4 Q99571 2/20 0.43
P2RX2 Q9UBL9 2/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NT5E P21589 7/20 0.41
HINT1 P49773 1/20 0.41
SLC29A1 Q99808 3/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
ENPP1 P22413 1/20 0.39
P2RX6 O15547 1/20 0.39
P2RX1 P51575 1/20 0.39

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
SCHEMBL26811527 0.92 HINT1 (0.46) ACHEP2RY11P2RX3P2RX4P2RX2
SCHEMBL22337333 0.92 HINT1 (0.46) ACHEP2RY11P2RX3P2RX4P2RX2
SCHEMBL22337045 0.92 HINT1 (0.46) ACHEP2RY11P2RX3P2RX4P2RX2
SCHEMBL26808568 0.86 HINT1 (0.51) P2RY11P2RX3P2RX4P2RX2NT5E
SCHEMBL17464581 0.86 P2RY11 (0.48) ACHEP2RY11P2RX3P2RX4P2RX2
SCHEMBL15837358 0.86 P2RY11 (0.48) ACHEP2RY11P2RX3P2RX4P2RX2
SCHEMBL26808476 0.86 P2RY11 (0.48) ACHEP2RY11P2RX3P2RX4P2RX2
SCHEMBL26808383 0.86 ACHE (0.46) ACHEP2RY11P2RX3P2RX4P2RX2
SCHEMBL26808248 0.86 ACHE (0.46) ACHEP2RY11P2RX3P2RX4P2RX2
SCHEMBL6761727 0.80 LMNA (0.58) ACHEP2RY11P2RX3P2RX4P2RX2

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 ACHE 4104/4885P2RY11 175/4885P2RX3 110/4885

“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.