SCHEMBL6093376

SCHEMBL6093376

COc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nc(N2CCCCS2(=O)=O)n(C)c1=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CALCA P06881 9/20 0.44
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
APEX1 P27695 1/20 0.42
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.39
CNR1 P21554 4/20 0.38
CNR2 P34972 4/20 0.38
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL6094165 0.89 CALCA (0.51) CALCATP53SMN1; SMN2CNR1CNR2
SCHEMBL6094710 0.87 CALCA (0.54) CALCATP53SMN1; SMN2POLB
SCHEMBL6094886 0.82 CALCA (0.53) CALCATP53SMN1; SMN2
SCHEMBL6094168 0.80 CALCA (0.44) CALCACNR1CNR2HRH3
SCHEMBL6093723 0.80 CALCA (0.49) CALCATP53SMN1; SMN2TSHRPOLB
SCHEMBL6097052 0.79 CALCA (0.51) CALCASMN1; SMN2LMNATSHRPOLB
SCHEMBL6093826 0.79 LIPG (0.50)
SCHEMBL6095158 0.79 CALCA (0.52) CALCATP53LMNA
SCHEMBL6095580 0.78 CALCA (0.55) CALCATP53SMN1; SMN2
SCHEMBL6094014 0.78 CALCA (0.57) CALCATP53LMNA

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

“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.