SCHEMBL21786895

SCHEMBL21786895

CC(C)(CNC(=O)CCCCC1SCC2NC(=O)NC21)SSCO[C@@H]1C[C@H](n2ccc(N)nc2=O)OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLG P54098 1/20 0.45
P2RY2 P41231 4/20 0.41
P2RY4 P51582 3/20 0.41
P2RY6 Q15077 2/20 0.41
F2 P00734 5/20 0.40
PLCD1 P51178 1/20 0.39
HLCS P50747 2/20 0.38
POLB P06746 1/20 0.38
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
TPSAB1 Q15661 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL19662094 1.00 POLG (0.45) POLGP2RY2P2RY4P2RY6F2
SCHEMBL21786890 1.00 POLG (0.45) POLGP2RY2P2RY4P2RY6F2
SCHEMBL21787216 0.90 POLG (0.43) POLGP2RY2P2RY4P2RY6POLB
SCHEMBL21786782 0.88 F2 (0.54) P2RY2P2RY4P2RY6F2HLCS
SCHEMBL19662403 0.88 F2 (0.54) P2RY2P2RY4P2RY6F2HLCS
SCHEMBL21786783 0.88 F2 (0.54) P2RY2P2RY4P2RY6F2HLCS
SCHEMBL21786811 0.87 POLG (0.47) POLGP2RY2P2RY4P2RY6POLB
SCHEMBL21787063 0.87 HLCS (0.53) F2HLCS
SCHEMBL21787065 0.87 HLCS (0.53) F2HLCS
SCHEMBL23734383 0.87 F2 (0.38) POLGF2PLCD1HLCSPRSS1

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-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-01-26 US disclosed
US-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-03-05 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 (2 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-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, RNGTT POLG 161/4885P2RY2 1781/4885P2RY4 1125/4885
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, NUDT1 POLG 169/4885P2RY2 1489/4885P2RY4 924/4885

“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.