SCHEMBL2796895

SCHEMBL2796895

Cc1cc(C(N)=O)ncc1C(c1c(F)ccc(F)c1F)S(=O)(=O)CC(C)C

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPC P11150 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
CHRM2 P08172 4/20 0.32
CHRM1 P11229 4/20 0.32
RRM1 P23921 4/20 0.32
RRM2B Q7LG56 4/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
BRAF P15056 1/20 0.31
PTGER1 P34995 1/20 0.31
LCK P06239 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
KCNQ3 O43525 1/20 0.30
KCNQ2 O43526 1/20 0.30
KCNE1 P15382 1/20 0.30
KCNQ1 P51787 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
SCHEMBL2800700 0.89 KMT2A (0.31) CYP3A4
SCHEMBL2798628 0.87 BRAF (0.32) CYP2C9BRAFLCK
SCHEMBL2798201 0.87 CHRM2 (0.33) TLR8TLR7CHRM2CHRM1RRM1
SCHEMBL2798514 0.85 GRM4 (0.31)
SCHEMBL2793997 0.85 PDGFRB (0.31)
SCHEMBL2823892 0.85 BRAF (0.32) CYP3A4BRAF
SCHEMBL2799941 0.85 BRAF (0.30) BRAF
SCHEMBL2793751 0.85 CHRM2 (0.32) TLR8TLR7CHRM2CHRM1RRM1
SCHEMBL2794577 0.85
SCHEMBL2797362 0.85 NR3C1 (0.31) CHRM2CHRM1RRM1RRM2BCYP3A4

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 LIPC 1380/4885TLR8 4870/4885TLR7 4633/4885

“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.