SCHEMBL2787302

SCHEMBL2787302

C[C@@]1(OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C(COC(=O)c2ccccc2)O[C@H]1n1cc(I)c2c(Cl)ncnc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADK P55263 10/20 0.43
SLC29A1 Q99808 1/20 0.40
GAPDH P04406 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HRAS P01112 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 2/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 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
SCHEMBL15225534 1.00 ADK (0.43) ADKSLC29A1GAPDHLMNAALDH1A1
SCHEMBL13092007 1.00 ADK (0.43) ADKSLC29A1GAPDHLMNAALDH1A1
SCHEMBL16982301 1.00 ADK (0.43) ADKSLC29A1GAPDHLMNAALDH1A1
SCHEMBL21012864 1.00 ADK (0.43) ADKSLC29A1GAPDHLMNAALDH1A1
SCHEMBL14279133 0.91 LMNA (0.37) ADKGAPDHLMNAALDH1A1HRAS
SCHEMBL16480871 0.91 ADK (0.44) ADKSLC29A1GAPDHLMNAALDH1A1
SCHEMBL13021360 0.90 ADK (0.43) ADKSLC29A1GAPDHLMNAALDH1A1
SCHEMBL2785729 0.90 ADK (0.43) ADKSLC29A1GAPDHLMNAALDH1A1
SCHEMBL16496818 0.90 ADK (0.43) ADKSLC29A1GAPDHLMNAALDH1A1
SCHEMBL24539010 0.85 LMNA (0.45) LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010135520-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION CHIMERIX, INC. (US) 2010-11-25 WO disclosed
US-20100297079-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION CHIMERIX, INC. (US) 2010-11-25 US disclosed
US-20100297079-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION CHIMERIX, INC. (US) 2010-11-25 US disclosed
US-20100297079-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION CHIMERIX, INC. (US) 2010-11-25 US disclosed
WO-2010135520-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION CHIMERIX, INC. (US) 2010-11-25 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-20100297079-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION HAVCR2, EIF2AK2, OAT ADK 2308/4885SLC29A1 1367/4885GAPDH 115/4885

“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.