SCHEMBL5344844

SCHEMBL5344844

CS(=O)(=O)OCCc1ccc(F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.40
KCNH2 Q12809 1/20 0.39
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
MMP9 P14780 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CA9 Q16790 1/20 0.36
HTT P42858 2/20 0.34
PTGS2 P35354 1/20 0.34
RIPK1 Q13546 1/20 0.34
BMP1 P13497 1/20 0.33

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
SCHEMBL15229213 0.85 KCNH2 (0.42) KCNH2CA1CA2ALDH1A1KDM4E
SCHEMBL14248769 0.85 DAO (0.41) DAOCA1CA2ALDH1A1PTGS2
SCHEMBL15137111 0.85 CA1 (0.38) CA1CA2ALDH1A1KDM4EUSP2
SCHEMBL5322121 0.85 CA1 (0.42) KCNH2CA1CA2TSHRPTGS2
SCHEMBL286670 0.82 DAO (0.46) DAOKCNH2
SCHEMBL3258334 0.81 CA2 (0.50) KCNH2CA1CA2ALDH1A1KDM4E
SCHEMBL980388 0.80 CA1 (0.44) KCNH2CA1CA2MAOBALDH1A1
SCHEMBL31377870 0.79 CA1 (0.45) CA1CA2ALDH1A1LMNACA9
SCHEMBL6823960 0.79 CA1 (0.45) CA1CA2ALDH1A1LMNACA9
SCHEMBL27176755 0.78 KDM4E (0.43) ALDH1A1KDM4EUSP2LMNAMMP9

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-7205295-B2 Benzoxazin-3-ones and derivatives thereof as therapeutic agents WARNER-LAMBERT COMPANY LLC (US) 2007-04-17 US disclosed
EP-1569653-A1 BENZOXAZIN-3-ONES AND DERIVATIVES THEREOF AS INHIBITORS OF PI3K Warner-Lambert Company LLC (US) 2005-09-07 EP disclosed
WO-2004052373-A1 BENZOXAZIN-3-ONES AND DERIVATIVES THEREOF AS INHIBITORS OF PI3K WARNER-LAMBERT COMPANY LLC (US) 2004-06-24 WO disclosed
US-20040121996-A1 Benzoxazin-3-ones and derivatives thereof as therapeutic agents BARVIAN NICOLE (US) 2004-06-24 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-20040121996-A1 Benzoxazin-3-ones and derivatives thereof as therapeutic agents XDH, HAX1, CYP4X1 DAO 1104/4885KCNH2 616/4885CA1 4334/4885

“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.