SCHEMBL2797457

SCHEMBL2797457

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.38
LIPC P11150 9/20 0.37
LIPG Q9Y5X9 3/20 0.34
MMP13 P45452 1/20 0.34
BRAF P15056 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
RRM1 P23921 1/20 0.32
RRM2B Q7LG56 1/20 0.32
SCN5A Q14524 2/20 0.32
SCN9A Q15858 2/20 0.32
CNR1 P21554 1/20 0.32
KCNH2 Q12809 1/20 0.31
PPARD Q03181 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
SCHEMBL2798695 0.94 LIPC (0.37) METAP2LIPCLIPGMMP13BRAF
SCHEMBL2798119 0.87 MMP13 (0.34) METAP2LIPCLIPGMMP13
SCHEMBL2797455 0.87 LIPC (0.33) LIPCLIPGMMP13BRAF
SCHEMBL2794552 0.87 LIPC (0.34) LIPCLIPGBRAF
SCHEMBL2798256 0.86 MMP13 (0.33) METAP2LIPCMMP13SCN9A
SCHEMBL2799420 0.86 MMP13 (0.33) METAP2LIPCMMP13
SCHEMBL2795101 0.86 LIPC (0.35) LIPCLIPGBRAF
SCHEMBL2797696 0.84 LIPC (0.35) LIPCLIPGBRAF
SCHEMBL13262581 0.84 MAOB (0.37) LIPCLIPGBRAFSCN5ASCN9A
SCHEMBL2796376 0.82 LIPC (0.34) LIPCLIPGBRAF

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 METAP2 854/4885LIPC 1380/4885LIPG 3653/4885

“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.