SCHEMBL595995

SCHEMBL595995

Cc1cc(C(N)=O)ncc1C(c1c(F)ccc(F)c1F)S(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
RRM1 P23921 2/20 0.35
RRM2B Q7LG56 2/20 0.35
CCR7 P32248 2/20 0.34
CCR6 P51684 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
P2RY14 Q15391 2/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
GRM4 Q14833 1/20 0.32
POLB P06746 1/20 0.32
CHRNA7 P36544 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 1/20 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
SCHEMBL595782 0.90 GRM2 (0.35) KMT2ACHRM2CHRM1RRM1RRM2B
SCHEMBL595395 0.90 PSEN1 (0.34) KMT2ACHRM2CHRM1RRM1RRM2B
SCHEMBL595686 0.89 PSEN1 (0.38) CHRM2CHRM1RRM1RRM2BPSEN1
SCHEMBL596591 0.88 GRM4 (0.33) CHRM2CHRM1RRM1RRM2BGRM4
SCHEMBL596185 0.88 GRM4 (0.34) KMT2ACHRM2CHRM1RRM1RRM2B
SCHEMBL595959 0.88 CFTR (0.36) KMT2ACYP2C9CA2
SCHEMBL596923 0.86 METAP2 (0.36) PTGDR2POLBALKBH2ALKBH5ALKBH3
SCHEMBL596892 0.83
SCHEMBL596572 0.81 ASPH (0.33)
SCHEMBL597018 0.81 AKT1 (0.33) CHRM2CHRM1RRM1RRM2B

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 KMT2A 4742/4885CHRM2 1864/4885CHRM1 2457/4885

“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.