SCHEMBL6018062

SCHEMBL6018062

Cn1c(-c2ccc(F)cc2S(C)(=O)=O)nc(C(=O)NCc2ccc(Cl)c(Cl)c2)c(O)c1=O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 10/20 0.46
CNR1 P21554 8/20 0.45
CNR2 P34972 8/20 0.45
KCNE1 P15382 1/20 0.44
CCR1 P32246 1/20 0.44
KCNQ1 P51787 1/20 0.44

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
SCHEMBL6018615 0.94 KCNE1 (0.44) WDR5CNR1CNR2KCNE1CCR1
SCHEMBL6017883 0.91 KCNE1 (0.52) KCNE1CCR1KCNQ1
SCHEMBL6017825 0.90 KCNE1 (0.46) WDR5KCNE1CCR1KCNQ1
SCHEMBL6018251 0.81 CNR1 (0.43) WDR5CNR1CNR2KCNE1CCR1
SCHEMBL6018223 0.79 CNR1 (0.48) CNR1CNR2KCNE1CCR1KCNQ1
SCHEMBL6018627 0.79 CNR1 (0.51) WDR5CNR1CNR2KCNE1CCR1
SCHEMBL6017876 0.79 WDR5 (0.49) WDR5CNR1CNR2KCNE1CCR1
SCHEMBL6018056 0.79 CNR1 (0.51) CNR1CNR2
SCHEMBL6017777 0.78 CNR1 (0.48) WDR5CNR1CNR2
SCHEMBL6017887 0.78 APEX1 (0.48) CNR1CNR2

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-20040229892-A1 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 2004-11-18 US claimed
US-7037908-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-02 US disclosed
US-20040229892-A1 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 2004-11-18 US disclosed
WO-2004096128-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-11 WO 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-20040229892-A1 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 DUT, CDK6, TYMS WDR5 804/4885CNR1 2721/4885CNR2 2956/4885

“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.