SCHEMBL2548239

SCHEMBL2548239

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 1/20 0.35
DOT1L Q8TEK3 1/20 0.34
STING1 Q86WV6 7/20 0.33
MARS1 P56192 1/20 0.33
ADK P55263 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
KLK5 Q9Y337 1/20 0.33
NSD3 Q9BZ95 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
SCHEMBL2548932 0.88 ADK (0.37) STING1MARS1ADKNSD3
SCHEMBL2546377 0.88 ADK (0.37) STING1MARS1ADKNSD3
SCHEMBL2548230 0.87 MARS1 (0.39) DOT1LSTING1MARS1ADKNSD3
SCHEMBL2548233 0.85 ALDH1A1 (0.39) STING1MARS1ADKNSD3
SCHEMBL2538132 0.83 FGFR1 (0.48) YAP1ITGB3ITGA2BKLK5
SCHEMBL15633431 0.82 FGFR1 (0.39) ADK
SCHEMBL15633479 0.82 FGFR1 (0.39) ADK
SCHEMBL15633591 0.82 FGFR1 (0.39) ADK
SCHEMBL15633310 0.82 FGFR1 (0.39) ADK
SCHEMBL2541239 0.80 ATM (0.42) DOT1LSTING1MARS1ADK

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 YAP1 4802/4885DOT1L 1112/4885STING1 207/4885

“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.