SCHEMBL596185

SCHEMBL596185

Cc1cc(C(N)=O)ncc1C(c1c(F)ccc(F)c1F)S(=O)(=O)c1ccc(F)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 4/20 0.34
PTGS2 P35354 2/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GRIN2A Q12879 2/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
CSF1R P07333 1/20 0.32
CCKAR P32238 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRM2 P08172 3/20 0.31
CHRM1 P11229 3/20 0.31
RRM1 P23921 3/20 0.31
RRM2B Q7LG56 3/20 0.31
AKR1C3 P42330 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
SCHEMBL595395 0.92 PSEN1 (0.34) GRM4CSF1RKMT2ACHRM2CHRM1
SCHEMBL595686 0.91 PSEN1 (0.38) GRM4GRIN2AGRIN1CHRM2CHRM1
SCHEMBL596591 0.89 GRM4 (0.33) GRM4CHRM2CHRM1RRM1RRM2B
SCHEMBL595995 0.88 KMT2A (0.40) GRM4PTGDR2KMT2ACHRM2CHRM1
SCHEMBL595782 0.88 GRM2 (0.35) PTGS2KMT2ACHRM2CHRM1RRM1
SCHEMBL596892 0.87
SCHEMBL597018 0.86 AKT1 (0.33) CHRM2CHRM1RRM1RRM2B
SCHEMBL595959 0.85 CFTR (0.36) KMT2A
SCHEMBL596988 0.85 GRIN2A (0.39) GRM4NPC1RAB9ASMN1; SMN2GRIN2A
SCHEMBL2798628 0.81 BRAF (0.32) CSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114886-B2 Pyridylmethylsulfone derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-14 US disclosed
US-8114886-B2 Pyridylmethylsulfone derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-14 US disclosed
US-8114886-B2 Pyridylmethylsulfone derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-14 US disclosed
US-20090149439-A1 PYRIDYLMETHYSULFONE DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-06-11 US disclosed
US-20090149439-A1 PYRIDYLMETHYSULFONE DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-06-11 US disclosed
US-20090149439-A1 PYRIDYLMETHYSULFONE DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-06-11 US disclosed
EP-1867636-A1 PYRIDYLMETHYLSULFONE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2007-12-19 EP 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-20090149439-A1 PYRIDYLMETHYSULFONE DERIVATIVE APP, IAPP, BACE1 GRM4 2952/4885PTGS2 1036/4885SLC1A3 1265/4885

“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.