SCHEMBL4368085

SCHEMBL4368085

O=C(NC(Cc1ccc(OC(F)(F)F)cc1)C(=O)NCCCO)c1ccc(OCCC2CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.51
PLG P00747 8/20 0.46
PRSS1 P07477 7/20 0.46
PRSS2 P07478 7/20 0.46
PRSS3 P35030 7/20 0.46
CTSS P25774 4/20 0.44
CTSL P07711 3/20 0.44
CTSK P43235 3/20 0.44
USP30 Q70CQ3 1/20 0.44
ACACB O00763 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
EPHX2 P34913 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
SCHEMBL4369703 0.95 KLKB1 (0.52) KLKB1PLGPRSS1PRSS2PRSS3
SCHEMBL4362966 0.95 KLKB1 (0.52) KLKB1PLGPRSS1PRSS2PRSS3
SCHEMBL4368070 0.92 KLKB1 (0.51) KLKB1PLGPRSS1PRSS2PRSS3
SCHEMBL4370249 0.91 KLKB1 (0.51) KLKB1PLGPRSS1PRSS2PRSS3
SCHEMBL4376247 0.88 KLKB1 (0.53) KLKB1PLGCTSSCTSLUSP30
SCHEMBL4364360 0.88 KLKB1 (0.51) KLKB1PLGPRSS1PRSS2PRSS3
SCHEMBL4370324 0.86 KLKB1 (0.53) KLKB1PLGPRSS1PRSS2PRSS3
SCHEMBL4368444 0.86 KLKB1 (0.53) KLKB1PLGPRSS1PRSS2PRSS3
SCHEMBL4364749 0.86 PLG (0.51) KLKB1PLGPRSS1PRSS2PRSS3
SCHEMBL4368435 0.85 KLKB1 (0.50) KLKB1PLGPRSS1PRSS2PRSS3

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 KLKB1 3853/4885PLG 697/4885PRSS1 95/4885

“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.