SCHEMBL595991

SCHEMBL595991

Cc1cc(C(=O)NCCO)ncc1C(Sc1ccc(F)cc1)c1cc(F)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCGR P47871 6/20 0.38
MAPK14 Q16539 3/20 0.38
METAP2 P50579 2/20 0.37
ALPL P05186 1/20 0.37
MMP13 P45452 1/20 0.36
CNR1 P21554 1/20 0.36
GPR52 Q9Y2T5 1/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.35

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
SCHEMBL596139 0.89 METAP2 (0.39) GCGRMAPK14METAP2
SCHEMBL596275 0.88 METAP2 (0.36) GCGRMAPK14METAP2ALPLMMP13
SCHEMBL595215 0.84 KMO (0.38) GAA
SCHEMBL596982 0.83 GRM2 (0.34) MAPK14GAA
SCHEMBL596026 0.79 PSEN1 (0.37)
SCHEMBL596911 0.79 PSEN1 (0.41) GCGRMETAP2ALPLMMP13CYP1A2
SCHEMBL14338941 0.79 P2RX7 (0.32)
SCHEMBL14339006 0.79 PSEN1 (0.36) GCGR
SCHEMBL596996 0.78 GCGR (0.37) GCGRMAPK14METAP2ALPLMMP13
SCHEMBL595767 0.78 PSEN1 (0.36) MAPK14

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 GCGR 2481/4885MAPK14 1224/4885METAP2 205/4885

“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.