SCHEMBL595378

SCHEMBL595378

Cc1cc(C(=O)O)ncc1C(c1c(F)ccc(F)c1F)S(=O)(=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 5/20 0.36
KDM4E B2RXH2 2/20 0.35
ASPH Q12797 2/20 0.35
KDM8 Q8N371 2/20 0.35
KMO O15229 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL596591 0.91 GRM4 (0.33) ALDH1A1HSD17B10KAT6AGRM4
SCHEMBL597072 0.87 MMP13 (0.35) P4HTMKAT6AGRM4LMNAPOLB
SCHEMBL596572 0.86 ASPH (0.33) KDM4EASPHKDM8KMOPTGS2
SCHEMBL596910 0.84 PSEN1 (0.40) P4HTMKDM4EASPHKDM8KMO
SCHEMBL10285522 0.83 P4HTM (0.41) P4HTMKDM4EASPHKDM8ALDH1A1
SCHEMBL595395 0.83 PSEN1 (0.34) KDM4EALDH1A1KMT2AGRM4LMNA
SCHEMBL595686 0.82 PSEN1 (0.38) GRM4
SCHEMBL597183 0.81 PSEN1 (0.33) KDM4EALDH1A1KMT2A
SCHEMBL596185 0.81 GRM4 (0.34) KMT2AGRM4PTGS2
SCHEMBL595995 0.79 KMT2A (0.40) KMT2AGRM4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1867636-B1 PYRIDYLMETHYLSULFONE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-06-05 EP 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
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 P4HTM 932/4885KDM4E 4362/4885ASPH 940/4885

“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.