SCHEMBL6096409

SCHEMBL6096409

Cc1ccc(CNC(=O)c2nc(N3CCCCS3(=O)=O)n(C)c(=O)c2O)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CALCA P06881 11/20 0.53
KCNE1 P15382 1/20 0.42
CCR1 P32246 1/20 0.42
KCNQ1 P51787 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6095158 0.92 CALCA (0.52) CALCAKCNE1CCR1KCNQ1LMNA
Bms-707035 SCHEMBL6095261 0.92 CALCA (0.63) CALCAKCNE1CCR1KCNQ1
SCHEMBL6093545 0.91 CALCA (0.63) CALCATP53POLBGAA
SCHEMBL6094020 0.91 CALCA (0.44) CALCALMNATP53POLB
SCHEMBL6096426 0.91 CALCA (0.45) CALCAKCNE1CCR1KCNQ1LMNA
SCHEMBL6093497 0.90 CALCA (0.52) CALCAKCNE1CCR1KCNQ1TP53
SCHEMBL6097052 0.90 CALCA (0.51) CALCALMNAPOLBMAPT
SCHEMBL6092456 0.89 CALCA (0.58) CALCATP53MAPT
SCHEMBL6092760 0.89 CALCA (0.52) CALCAKCNE1CCR1KCNQ1LMNA
SCHEMBL6094820 0.88 CALCA (0.54) CALCAKCNE1CCR1KCNQ1TP53

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 CALCA 4716/4885KCNE1 3935/4885CCR1 660/4885

“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.