SCHEMBL2546377

SCHEMBL2546377

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADK P55263 1/20 0.37
MARS1 P56192 1/20 0.34
STING1 Q86WV6 5/20 0.34
ATM Q13315 1/20 0.34
NSD3 Q9BZ95 1/20 0.33
TRDMT1 O14717 1/20 0.32
ALDH1A1 P00352 1/20 0.32
IARS1 P41252 1/20 0.32
TARS1 P26639 2/20 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
SCHEMBL2548932 1.00 ADK (0.37) ADKMARS1STING1ATMNSD3
SCHEMBL2548230 0.88 MARS1 (0.39) ADKMARS1STING1ATMNSD3
SCHEMBL2548239 0.88 YAP1 (0.35) ADKMARS1STING1NSD3
SCHEMBL2548233 0.85 ALDH1A1 (0.39) ADKMARS1STING1ATMNSD3
SCHEMBL2543337 0.84 ADK (0.36) ADKMARS1STING1ATMALDH1A1
SCHEMBL2541239 0.84 ATM (0.42) ADKMARS1STING1ATMALDH1A1
SCHEMBL12238556 0.84 ATM (0.42) ADKMARS1STING1ATMALDH1A1
SCHEMBL2541957 0.83 FGFR1 (0.48) ALDH1A1
SCHEMBL15633430 0.80 ATM (0.40) ADKATMALDH1A1
SCHEMBL15633431 0.80 FGFR1 (0.39) ADKALDH1A1

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 80/4885MARS1 70/4885STING1 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.