SCHEMBL6093579

SCHEMBL6093579

COc1c(C(=O)O)nc(N2CCCCS2(=O)=O)n(C)c1=O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
LDHA P00338 1/20 0.33
CALCA P06881 4/20 0.32
TP53 P04637 3/20 0.31
PIK3C3 Q8NEB9 1/20 0.30

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
SCHEMBL6092442 0.85 POLB (0.33) POLBLDHACALCA
SCHEMBL6096728 0.84 ERCC1 (0.38) POLBCALCAPIK3C3
SCHEMBL6094472 0.82 CALCA (0.42) POLBCALCA
SCHEMBL6094710 0.78 CALCA (0.54) POLBCALCATP53
SCHEMBL6093376 0.76 CALCA (0.44) POLBCALCATP53
SCHEMBL6094694 0.74 CALCA (0.36) POLBCALCA
SCHEMBL6093723 0.73 CALCA (0.49) POLBLDHACALCATP53
SCHEMBL6094424 0.70 PHGDH (0.41) CALCATP53
SCHEMBL6097052 0.70 CALCA (0.51) POLBCALCA
SCHEMBL6096334 0.69 POLB (0.47) POLBCALCATP53

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-7135467-B2 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-14 US disclosed
US-20040204498-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 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-20040204498-A1 HIV integrase inhibitors IMPDH1, TYMP, REV1 POLB 23/4885LDHA 2806/4885CALCA 4716/4885

“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.