SCHEMBL6094710

SCHEMBL6094710

COc1c(C(=O)NCc2ccc(F)cc2)nc(N2CCCCS2(=O)=O)n(C)c1=O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CALCA P06881 8/20 0.54
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 1/20 0.40
KCNE1 P15382 1/20 0.40
CCR1 P32246 1/20 0.40
KCNQ1 P51787 1/20 0.40
CYP2C9 P11712 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RCE1 Q9Y256 1/20 0.39
POLB P06746 1/20 0.39
LIPG Q9Y5X9 1/20 0.38

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
Bms-707035 SCHEMBL6095261 0.88 CALCA (0.63) CALCASMN1; SMN2KCNE1CCR1KCNQ1
SCHEMBL6093376 0.87 CALCA (0.44) CALCASMN1; SMN2TP53POLB
SCHEMBL6097052 0.83 CALCA (0.51) CALCASMN1; SMN2POLB
SCHEMBL6096409 0.80 CALCA (0.53) CALCATP53KCNE1CCR1KCNQ1
SCHEMBL6093723 0.80 CALCA (0.49) CALCASMN1; SMN2TP53POLB
SCHEMBL6095345 0.80 CALCA (0.53) CALCASMN1; SMN2KCNE1CCR1KCNQ1
SCHEMBL6095269 0.79 CALCA (0.54) CALCASMN1; SMN2KCNE1CCR1KCNQ1
SCHEMBL6094615 0.79 CALCA (0.66) CALCAKCNE1CCR1KCNQ1CYP2C9
SCHEMBL6095158 0.79 CALCA (0.52) CALCATP53KCNE1CCR1KCNQ1
SCHEMBL6093545 0.79 CALCA (0.63) CALCATP53CYP2C9MEN1KMT2A

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 CALCA 4716/4885SMN1; SMN2 3629/4885TP53 2504/4885

“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.