SCHEMBL6503256

SCHEMBL6503256

COC(=O)C1=C(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.36
F2 P00734 2/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
SLC6A3 Q01959 9/20 0.35
SLC6A4 P31645 1/20 0.35
CA1 P00915 6/20 0.32
CA2 P00918 6/20 0.32
MMP1 P03956 4/20 0.32
MMP2 P08253 4/20 0.32
MMP9 P14780 4/20 0.32
MMP8 P22894 4/20 0.32
MMP13 P45452 4/20 0.32

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
SCHEMBL6498188 0.96 F2 (0.35) SLC6A2F2PRSS1PRSS2PRSS3
SCHEMBL6665551 0.86 CA1 (0.33) CA1CA2MMP1MMP2MMP9
SCHEMBL6492089 0.86 KDM4E (0.36) CA1CA2MMP1MMP2MMP9
SCHEMBL6492100 0.86 KDM4E (0.36) CA1CA2MMP1MMP2MMP9
SCHEMBL1958265 0.85 SLC6A3 (0.41) SLC6A2SLC6A3SLC6A4
SCHEMBL4548472 0.83 SLC6A3 (0.39) SLC6A2SLC6A3SLC6A4
SCHEMBL502662 0.80 SLC6A3 (0.37) SLC6A2SLC6A3SLC6A4
SCHEMBL15876290 0.70 SLC6A3 (0.41) SLC6A2SLC6A3SLC6A4
SCHEMBL2482088 0.70 LMNA (0.31)
SCHEMBL8197222 0.70 LMNA (0.31)

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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 US disclosed
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
US-20040157866-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 US disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 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 (2 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-20040157866-A1 Amide compounds APOB, NR1H2, NR1H3 SLC6A2 2304/4885F2 174/4885PRSS1 1687/4885
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 SLC6A2 1801/4885F2 62/4885PRSS1 387/4885

“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.