SCHEMBL6018615

SCHEMBL6018615

Cc1ccc(CNC(=O)c2nc(-c3ccc(F)cc3S(C)(=O)=O)n(C)c(=O)c2O)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 1/20 0.44
CCR1 P32246 1/20 0.44
KCNQ1 P51787 1/20 0.44
WDR5 P61964 10/20 0.43
KCNH2 Q12809 1/20 0.40
CNR1 P21554 3/20 0.39
CNR2 P34972 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2C9 P11712 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
SCHEMBL6018062 0.94 WDR5 (0.46) KCNE1CCR1KCNQ1WDR5CNR1
SCHEMBL6017825 0.92 KCNE1 (0.46) KCNE1CCR1KCNQ1WDR5KCNH2
SCHEMBL6017883 0.90 KCNE1 (0.52) KCNE1CCR1KCNQ1KCNH2MEN1
SCHEMBL6017757 0.82 KMT2A (0.39) KCNE1CCR1KCNQ1WDR5KCNH2
SCHEMBL6017779 0.80 KCNE1 (0.42) KCNE1CCR1KCNQ1WDR5CNR1
SCHEMBL6017619 0.80 CNR1 (0.43) KCNE1CCR1KCNQ1WDR5CNR1
SCHEMBL6018089 0.79 TSHR (0.45) KCNE1CCR1KCNQ1WDR5CNR1
SCHEMBL6017692 0.79 MMP1 (0.47) WDR5CNR1CNR2MEN1KMT2A
SCHEMBL6017958 0.79 WDR5 (0.45) KCNE1CCR1KCNQ1WDR5KCNH2
SCHEMBL6017747 0.78 CNR1 (0.40) KCNE1CCR1KCNQ1WDR5CNR1

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-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

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 KCNE1 3647/4885CCR1 1187/4885KCNQ1 2858/4885

“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.