SCHEMBL13523532

SCHEMBL13523532

CC(=O)O[C@H]1[C@@H](OC(=O)c2ccccc2)C(n2ccc(=O)[nH]c2=O)O[C@@]1(COC(=O)c1ccccc1)N=[N+]=[N-]

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ P2RY2 P41231 4/20 0.36
▸ P2RY12 Q9H244 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ ABCB1 P08183 8/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ P2RY4 P51582 1/20 0.33
▸ P2RY6 Q15077 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
SCHEMBL13523800 1.00 POLB (0.39) POLBMEN1USP2KMT2AP2RY2
SCHEMBL13671118 1.00 POLB (0.39) POLBMEN1USP2KMT2AP2RY2
SCHEMBL15281799 0.95 POLB (0.41) POLBMEN1USP2KMT2AP2RY2
SCHEMBL13592886 0.95 POLB (0.41) POLBMEN1USP2KMT2AP2RY2
SCHEMBL14215483 0.90 TDP1 (0.39) P2RY2TDP1P2RY4P2RY6
SCHEMBL14188189 0.90 TDP1 (0.39) P2RY2TDP1P2RY4P2RY6
SCHEMBL13523539 0.89 POLB (0.41) POLBMEN1USP2KMT2AP2RY2
SCHEMBL13523533 0.89 POLB (0.41) POLBMEN1USP2KMT2AP2RY2
SCHEMBL13523797 0.89 POLB (0.41) POLBMEN1USP2KMT2AP2RY2
SCHEMBL21418943 0.88 POLB (0.36) POLBMEN1USP2KMT2AP2RY2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648054-B2 4′-substituted nucleoside derivatives as inhibitors of HCV RNA replication ROCHE PALO ALTO LLC (US) 2014-02-11 — — US disclosed
US-20130237491-A1 4'-SUBSTITUTED NUCLEOSIDE DERIVATIVES AS INHIBITORS OF HCV RNA REPLICATION ROCHE PALO ALTO LLC (US) 2013-09-12 — — US disclosed
US-8071567-B2 4′-substituted nucleoside derivatives as inhibitors of HCV RNA replication ROCHE PALO ALTO LLC (US) 2011-12-06 — — US disclosed
US-8071567-B2 4′-substituted nucleoside derivatives as inhibitors of HCV RNA replication ROCHE PALO ALTO LLC (US) 2011-12-06 — — US disclosed
US-20100003213-A1 4'-SUBSTITUTED NUCLEOSIDE DERIVATIVES AS INHIBITORS OF HCV RNA REPLICATION DEVOS RENE ROBERT 2010-01-07 — — US disclosed
US-20100003213-A1 4'-SUBSTITUTED NUCLEOSIDE DERIVATIVES AS INHIBITORS OF HCV RNA REPLICATION DEVOS RENE ROBERT 2010-01-07 — — 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-20100003213-A1 4'-SUBSTITUTED NUCLEOSIDE DERIVATIVES AS INHIBITORS OF HCV RNA REPLICATION NSUN2, RNGTT, RNMT POLB 93/4885MEN1 4819/4885USP2 3879/4885
US-20130237491-A1 4'-SUBSTITUTED NUCLEOSIDE DERIVATIVES AS INHIBITORS OF HCV RNA REPLICATION NSUN2, RNGTT, RNMT POLB 93/4885MEN1 4819/4885USP2 3879/4885

“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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