SCHEMBL2543337

SCHEMBL2543337

CC(C)CNC(=O)C(Cc1ccc(OP2(=O)CO[C@@H](Cn3cnc4c(N)ncnc43)CO2)cc1)NC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADK P55263 1/20 0.36
ALDH1A1 P00352 1/20 0.34
ATM Q13315 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
STING1 Q86WV6 2/20 0.32
IMPDH2 P12268 2/20 0.32
IMPDH1 P20839 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
CA9 Q16790 2/20 0.32
DOT1L Q8TEK3 1/20 0.32
CARM1 Q86X55 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
MARS1 P56192 1/20 0.32

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
SCHEMBL2541239 0.91 ATM (0.42) ADKALDH1A1ATMSMN1; SMN2STING1
SCHEMBL12238556 0.91 ATM (0.42) ADKALDH1A1ATMSMN1; SMN2STING1
SCHEMBL2548233 0.86 ALDH1A1 (0.39) ADKALDH1A1ATMLMNASMN1; SMN2
SCHEMBL2546377 0.84 ADK (0.37) ADKALDH1A1ATMSTING1MARS1
SCHEMBL2548230 0.83 MARS1 (0.39) ADKALDH1A1ATMLMNASMN1; SMN2
SCHEMBL2548239 0.82 YAP1 (0.35) ADKSTING1DOT1LMARS1
SCHEMBL15633431 0.80 FGFR1 (0.39) ADKALDH1A1
SCHEMBL15633610 0.80 FGFR1 (0.39) ADKALDH1A1
SCHEMBL15633591 0.80 FGFR1 (0.39) ADKALDH1A1
SCHEMBL15633478 0.80 ATM (0.40) ADKALDH1A1ATMDOT1LCARM1

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-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

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 ADK 80/4885ALDH1A1 3139/4885ATM 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.