SCHEMBL6017883

SCHEMBL6017883

Cn1c(-c2ccc(F)cc2S(C)(=O)=O)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 1/20 0.52
CCR1 P32246 1/20 0.52
KCNQ1 P51787 1/20 0.52
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KCNH2 Q12809 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
CYP2C9 P11712 1/20 0.44
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
SCD O00767 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ERCC1 P07992 1/20 0.40
FEN1 P39748 1/20 0.40
ERCC4 Q92889 1/20 0.40
HMGCR P04035 2/20 0.40
CES2 O00748 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
SCHEMBL6017825 0.93 KCNE1 (0.46) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL6018062 0.91 WDR5 (0.46) KCNE1CCR1KCNQ1
SCHEMBL6018615 0.90 KCNE1 (0.44) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL6017893 0.83 CCR1 (0.50) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL6018492 0.81 GABRG2 (0.42) MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1150575 0.80 KCNE1 (0.56) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL1150195 0.80 KCNE1 (0.56) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL6017760 0.80 SMN1; SMN2 (0.57) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL6017686 0.79 KCNE1 (0.55) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL6017764 0.79 KCNE1 (0.55) KCNE1CCR1KCNQ1MEN1KMT2A

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
WO-2004096128-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-11 WO 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

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.