SCHEMBL596275

SCHEMBL596275

Cc1cc(C(=O)NCCO)ncc1C(Sc1ccc(F)cc1)c1c(F)ccc(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.36
GCGR P47871 4/20 0.35
MAPK14 Q16539 3/20 0.35
MMP13 P45452 1/20 0.35
CNR1 P21554 1/20 0.35
GPR52 Q9Y2T5 1/20 0.35
GAA P10253 1/20 0.35
ALPL P05186 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
MAP2K2 P36507 1/20 0.32
MAP2K1 Q02750 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
SCHEMBL595991 0.88 GCGR (0.38) METAP2GCGRMAPK14MMP13CNR1
SCHEMBL595980 0.85 KDM4E (0.35) GAANPC1RAB9ASMN1; SMN2
SCHEMBL596490 0.84 GRM2 (0.33) MAPK14GAANPC1RAB9ASMN1; SMN2
SCHEMBL595411 0.82 GPR6 (0.32) GAANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL595594 0.80 METAP2 (0.35) METAP2GCGRMMP13GPR52ALPL
SCHEMBL596139 0.78 METAP2 (0.39) METAP2GCGRMAPK14
SCHEMBL595227 0.76
SCHEMBL597589 0.73 MMP13 (0.35) GCGRMMP13GAA
SCHEMBL2797457 0.73 METAP2 (0.38) METAP2MMP13CNR1
SCHEMBL595215 0.72 KMO (0.38) GAA

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

“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.