SCHEMBL2798256

SCHEMBL2798256

Cc1cc(C(=O)NCO)ncc1C(c1c(F)ccc(F)c1F)S(=O)(=O)CCC(F)(F)Cl

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.33
CYP2C9 P11712 1/20 0.32
LIPC P11150 1/20 0.32
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
METAP2 P50579 1/20 0.31
SCN9A Q15858 1/20 0.31
EGLN1 Q9GZT9 1/20 0.30
MMP10 P09238 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2798695 0.93 LIPC (0.37) MMP13LIPCMETAP2
SCHEMBL2798119 0.92 MMP13 (0.34) MMP13CYP2C9LIPCGRIN1GRIN2A
SCHEMBL2799420 0.91 MMP13 (0.33) MMP13CYP2C9LIPCMETAP2MMP10
SCHEMBL2794574 0.87 NR3C1 (0.30) LIPC
SCHEMBL2797457 0.86 METAP2 (0.38) MMP13LIPCMETAP2SCN9A
SCHEMBL13262440 0.85 MAOB (0.32) EGLN1
SCHEMBL2796376 0.83 LIPC (0.34) LIPCGRIN1GRIN2AEGLN1
SCHEMBL2795838 0.82 MMP13 (0.34) MMP13CYP2C9GRIN1GRIN2AMMP10
SCHEMBL2797455 0.81 LIPC (0.33) MMP13LIPC
SCHEMBL597835 0.81 PSEN1 (0.38) MMP13GRIN1GRIN2AEGLN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2204365-A1 ALKYLSULFONE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-07-07 EP disclosed
US-20100168136-A1 ALKYLSULFONE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-07-01 US disclosed
US-20100168136-A1 ALKYLSULFONE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-07-01 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-20100168136-A1 ALKYLSULFONE DERIVATIVES BACE1, APP, AMY1A MMP13 2376/4885CYP2C9 2655/4885LIPC 1380/4885

“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.