SCHEMBL596139

SCHEMBL596139

Cc1cc(C(=O)NCCO)ncc1C(Sc1ccc(C(F)(F)F)nc1)c1cc(F)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.39
P2RX7 Q99572 6/20 0.37
SCN9A Q15858 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
MAPK14 Q16539 2/20 0.34
TRPV3 Q8NET8 3/20 0.33
TRPV1 Q8NER1 2/20 0.33
GCGR P47871 2/20 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
SCHEMBL14338941 0.91 P2RX7 (0.32) P2RX7TRPV3TRPV1
SCHEMBL595991 0.89 GCGR (0.38) METAP2MAPK14GCGR
SCHEMBL595773 0.86 P2RX7 (0.33) P2RX7TRPV3TRPV1
SCHEMBL596467 0.86 NR3C1 (0.33) P2RX7SCN9ATRPV3TRPV1
SCHEMBL595233 0.84 GPR6 (0.34) P2RX7TRPV3TRPV1
SCHEMBL597454 0.82 METAP2 (0.39) METAP2P2RX7SCN9ASCN10ATRPV3
SCHEMBL596651 0.79 TRPV3 (0.32) TRPV3
SCHEMBL596275 0.78 METAP2 (0.36) METAP2MAPK14GCGR
SCHEMBL14338966 0.78 P2RX7 (0.31) P2RX7
SCHEMBL597115 0.76 PSEN1 (0.40) METAP2GCGR

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
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
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 METAP2 205/4885P2RX7 2484/4885SCN9A 1029/4885

“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.