SCHEMBL2547442

SCHEMBL2547442

CC(C)CNC(=O)[C@@H](N)Cc1ccc(OP(=O)(O)CO[C@H](CO)Cn2cnc3c(N)ncnc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 15/20 0.47
▸ CYP2D6 P10635 14/20 0.44
▸ ATM Q13315 1/20 0.41
▸ FAP Q12884 1/20 0.40

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
SCHEMBL15633560 0.89 CYP3A4 (0.51) CYP3A4CYP2D6
SCHEMBL15633881 0.89 CYP3A4 (0.51) CYP3A4CYP2D6
SCHEMBL15634070 0.89 CYP3A4 (0.51) CYP3A4CYP2D6
SCHEMBL15633489 0.89 CYP3A4 (0.51) CYP3A4CYP2D6
SCHEMBL15633919 0.89 CYP3A4 (0.51) CYP3A4CYP2D6
SCHEMBL21318454 0.86 CYP3A4 (0.53) CYP3A4CYP2D6
SCHEMBL21318428 0.85 CYP3A4 (0.47) CYP3A4CYP2D6ATM
SCHEMBL21318447 0.85 CYP3A4 (0.54) CYP3A4CYP2D6
SCHEMBL21318448 0.85 CYP3A4 (0.47) CYP3A4CYP2D6ATM
SCHEMBL15633920 0.79 CYP3A4 (0.51) CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940313-B2 Tyrosine-based prodrugs of antiviral agents UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2015-01-27 — — US disclosed
US-8940313-B2 Tyrosine-based prodrugs of antiviral agents UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2015-01-27 — — US disclosed
US-8940313-B2 Tyrosine-based prodrugs of antiviral agents UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2015-01-27 — — US disclosed
US-20110263535-A1 TYROSINE-BASED PRODRUGS OF ANTIVIRAL AGENTS UNIVERSITY OF SOUTHERN CALIFORNIA 2011-10-27 — — US disclosed
US-20110263535-A1 TYROSINE-BASED PRODRUGS OF ANTIVIRAL AGENTS UNIVERSITY OF SOUTHERN CALIFORNIA 2011-10-27 — — US disclosed
US-20110263535-A1 TYROSINE-BASED PRODRUGS OF ANTIVIRAL AGENTS UNIVERSITY OF SOUTHERN CALIFORNIA 2011-10-27 — — US disclosed
WO-2011133963-A2 TYROSINE-BASED PRODRUGS OF ANTIVIRAL AGENTS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-10-27 — — 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-20110263535-A1 TYROSINE-BASED PRODRUGS OF ANTIVIRAL AGENTS TYMP, MTAP, TK1 CYP3A4 1593/4885CYP2D6 1076/4885ATM 1896/4885

“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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