SCHEMBL6093727

SCHEMBL6093727

COc1cc(CNC(=O)c2nc(N3CCCCS3(O)O)n(C)c(=O)c2O)cc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.45
CALCA P06881 8/20 0.41
ABCB1 P08183 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.38
PDE2A O00408 1/20 0.38
LIPG Q9Y5X9 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL6093723 0.91 CALCA (0.49) LDHACALCAABCB1SMN1; SMN2TSHR
SCHEMBL6097061 0.86 MAPT (0.44) CALCASMN1; SMN2TSHRTP53
SCHEMBL6095009 0.86 CALCA (0.43) CALCATP53
SCHEMBL6094628 0.86 CALCA (0.56) CALCASMN1; SMN2
SCHEMBL6095589 0.85 CALCA (0.47) CALCASMN1; SMN2TP53
SCHEMBL6092631 0.84 MEN1 (0.44) TSHRTP53
SCHEMBL6096208 0.84 LMNA (0.44) TSHRTP53
SCHEMBL6093561 0.84 CALCA (0.54) CALCATP53
SCHEMBL6094217 0.83 CALCA (0.43) CALCA
SCHEMBL6096426 0.83 CALCA (0.45) CALCATP53

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 4 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 claimed
US-20040204498-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US claimed
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 LDHA 2806/4885CALCA 4716/4885ABCB1 198/4885

“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.