SCHEMBL597018

SCHEMBL597018

Cc1cc(C(N)=O)ncc1C(c1c(F)ccc(F)c1F)S(=O)(=O)c1ccc2ccoc2c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.33
PIK3CA P42336 1/20 0.33
USP9X Q93008 1/20 0.33
EED O75530 1/20 0.32
RBBP4 Q09028 1/20 0.32
SUZ12 Q15022 1/20 0.32
EZH2 Q15910 1/20 0.32
AEBP2 Q6ZN18 1/20 0.32
CHRM2 P08172 3/20 0.32
CHRM1 P11229 3/20 0.32
RRM1 P23921 3/20 0.32
RRM2B Q7LG56 3/20 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
SCHEMBL596408 0.87 GRIN1 (0.33) USP9X
SCHEMBL596185 0.86 GRM4 (0.34) CHRM2CHRM1RRM1RRM2B
SCHEMBL10285792 0.85 S1PR1 (0.33) AKT1PIK3CA
SCHEMBL595395 0.84 PSEN1 (0.34) CHRM2CHRM1RRM1RRM2B
SCHEMBL595686 0.83 PSEN1 (0.38) CHRM2CHRM1RRM1RRM2B
SCHEMBL596591 0.82 GRM4 (0.33) CHRM2CHRM1RRM1RRM2B
SCHEMBL595995 0.81 KMT2A (0.40) CHRM2CHRM1RRM1RRM2B
SCHEMBL595782 0.81 GRM2 (0.35) PIK3CACHRM2CHRM1RRM1RRM2B
SCHEMBL596892 0.80
SCHEMBL596519 0.79 EED (0.31) EEDRBBP4SUZ12EZH2AEBP2

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 5 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-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 AKT1 2582/4885PIK3CA 4787/4885USP9X 3640/4885

“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.