SCHEMBL6716613

SCHEMBL6716613

CCCCCCNc1cccc(S(=O)(=O)CC(C=O)(CC)CCCC)c1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
KCNA3 P22001 2/20 0.33
RECQL P46063 1/20 0.33
CISD1 Q9NZ45 6/20 0.32
SIGMAR1 Q99720 1/20 0.32
TLR8 Q9NR97 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
GRM2 Q14416 1/20 0.32
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
EPHX2 P34913 1/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6201326 0.80 L3MBTL1 (0.37) L3MBTL1RECQLSIGMAR1MMP1MMP9
SCHEMBL6201198 0.78 AR (0.36) L3MBTL1MMP1MMP9MMP13
SCHEMBL8200735 0.72 L3MBTL1 (0.37) L3MBTL1SIGMAR1MMP1MMP9MMP13
SCHEMBL6201097 0.72 CNR1 (0.38)
SCHEMBL6202055 0.72 CNR1 (0.38) CYP1A2CYP3A4CYP2C19
SCHEMBL6201511 0.71 AR (0.35) MMP1MMP9MMP13
SCHEMBL6202434 0.70 CA12 (0.38) RECQLCA12CA9CYP1A2CYP3A4
SCHEMBL8801217 0.70 PTGES (0.39) L3MBTL1SIGMAR1TDP1
SCHEMBL8893617 0.69 CNR1 (0.34) L3MBTL1MMP1MMP9MMP13
SCHEMBL27534833 0.66 CNR1 (0.40)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176438-A1 Novel mono- and di-fluorinated beozothiepine copmunds as inhibitors of apical sodium co-dependent bile acid transport (ASBT) and taurocholate uptake G.D. SEARLE, LLC 2004-09-09 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-20040176438-A1 Novel mono- and di-fluorinated beozothiepine copmunds as inhibitors of apical sodium co-dependent bile acid transport (ASBT) and taurocholate uptake SLC10A1, SLC10A2, ABCB11 L3MBTL1 3034/4885KCNA3 3572/4885RECQL 1982/4885

“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.