SCHEMBL6096426

SCHEMBL6096426

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CALCA P06881 7/20 0.45
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
CYP2C9 P11712 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6095269 0.92 CALCA (0.54) CALCAKCNE1CCR1KCNQ1L3MBTL1
SCHEMBL6095170 0.92 MEN1 (0.46) CALCAKCNE1CCR1KCNQ1LMNA
SCHEMBL6093561 0.91 CALCA (0.54) CALCAKCNE1CCR1KCNQ1TP53
SCHEMBL6094030 0.91 THRB (0.42) LMNATP53POLBGAAMAPT
SCHEMBL6096409 0.91 CALCA (0.53) CALCAKCNE1CCR1KCNQ1LMNA
SCHEMBL6093507 0.90 CALCA (0.44) CALCAKCNE1CCR1KCNQ1L3MBTL1
SCHEMBL6097061 0.90 MAPT (0.44) CALCAKCNE1CCR1KCNQ1LMNA
SCHEMBL6092757 0.89 CALCA (0.44) CALCAKCNE1CCR1KCNQ1LMNA
SCHEMBL6092467 0.89 CALCA (0.49) CALCATP53MAPTMEN1KMT2A
SCHEMBL6094829 0.88 CALCA (0.46) CALCAKCNE1CCR1KCNQ1L3MBTL1

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.