SCHEMBL4364591

SCHEMBL4364591

O=C(NC(Cc1ccc(OC(F)(F)F)cc1)C(=O)NCCO)c1ccc(OCC2CCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.51
CTSL P07711 10/20 0.51
KLKB1 P03952 1/20 0.51
CTSK P43235 6/20 0.48
USP30 Q70CQ3 1/20 0.44
EPHX2 P34913 3/20 0.42
FAAH O00519 1/20 0.42
PLG P00747 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
KIFC1 Q9BW19 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL4364524 0.98 CTSS (0.53) CTSSCTSLKLKB1CTSKUSP30
SCHEMBL4370324 0.96 KLKB1 (0.53) CTSSCTSLKLKB1CTSKUSP30
SCHEMBL4368444 0.96 KLKB1 (0.53) CTSSCTSLKLKB1CTSKUSP30
SCHEMBL4370249 0.90 KLKB1 (0.51) CTSSCTSLKLKB1CTSKUSP30
SCHEMBL4362966 0.88 KLKB1 (0.52) CTSSCTSLKLKB1CTSKUSP30
SCHEMBL4369703 0.88 KLKB1 (0.52) CTSSCTSLKLKB1CTSKUSP30
SCHEMBL4369015 0.88 PLG (0.52) CTSSCTSLKLKB1PLGPRSS1
SCHEMBL4372754 0.88 PLG (0.52) CTSSCTSLKLKB1PLGPRSS1
SCHEMBL4368070 0.88 KLKB1 (0.51) CTSSCTSLKLKB1CTSKUSP30
SCHEMBL4364750 0.87 KLKB1 (0.51) CTSSCTSLKLKB1CTSKUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1908466-B1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME DAIICHI SANKYO CO LTD (JP) 2014-02-19 EP disclosed
EP-1908466-B1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME DAIICHI SANKYO CO LTD (JP) 2014-02-19 EP disclosed
US-8344029-B2 Substituted propanamide derivative and pharmaceutical composition containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-01-01 US disclosed
US-8344029-B2 Substituted propanamide derivative and pharmaceutical composition containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-01-01 US disclosed
US-8344029-B2 Substituted propanamide derivative and pharmaceutical composition containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-01-01 US disclosed
US-20090292024-A1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-11-26 US disclosed
US-20090292024-A1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-11-26 US disclosed
US-20090292024-A1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-11-26 US disclosed
EP-1908466-A1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Daiichi Sankyo Company, Limited (JP) 2008-04-09 EP disclosed
EP-1908466-A1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Daiichi Sankyo Company, Limited (JP) 2008-04-09 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-20090292024-A1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME PTMS, C1S, ACP3 CTSS 416/4885CTSL 530/4885KLKB1 3853/4885

“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.