SCHEMBL4367205

SCHEMBL4367205

O=C(N[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NCCO)c1ccc(OCCC(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.54
USP30 Q70CQ3 1/20 0.47
KIFC1 Q9BW19 2/20 0.45
ACACB O00763 1/20 0.44
EPHX2 P34913 3/20 0.43
NR1H4 Q96RI1 1/20 0.43
PPARG P37231 3/20 0.43
PPARA Q07869 2/20 0.43
CTSL P07711 3/20 0.43
CTSS P25774 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ADCY6 O43306 1/20 0.42
ADCY3 O60266 1/20 0.42
ADCY9 O60503 1/20 0.42
ADCY5 O95622 1/20 0.42
ADCY8 P40145 1/20 0.42
GCGR P47871 1/20 0.42
ADCY7 P51828 1/20 0.42
ADCY2 Q08462 1/20 0.42
ADCY1 Q08828 1/20 0.42

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
SCHEMBL4368053 1.00 KLKB1 (0.54) KLKB1USP30KIFC1ACACBEPHX2
SCHEMBL4366047 0.95 KLKB1 (0.53) KLKB1USP30KIFC1EPHX2NR1H4
SCHEMBL4376247 0.94 KLKB1 (0.53) KLKB1USP30KIFC1ACACBEPHX2
SCHEMBL4364662 0.92 KLKB1 (0.50) KLKB1KIFC1ACACBCTSLCTSS
SCHEMBL4373744 0.92 KLKB1 (0.56) KLKB1USP30KIFC1ACACBEPHX2
SCHEMBL4369924 0.92 KLKB1 (0.56) KLKB1USP30KIFC1ACACBEPHX2
SCHEMBL4370020 0.91 KLKB1 (0.56) KLKB1USP30KIFC1ACACBEPHX2
SCHEMBL4361573 0.91 CTSL (0.51) KLKB1KIFC1ACACBPPARGCTSL
SCHEMBL4375939 0.91 CTSL (0.51) KLKB1KIFC1ACACBPPARGCTSL
SCHEMBL4368405 0.90 KLKB1 (0.59) KLKB1USP30KIFC1EPHX2NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4335439-B2 2009-09-30 JP claimed
JP-2001523765-A 2001-11-27 JP claimed
WO-1999025890-A1 A HEAT RESISTANT STEEL CERAMIC FUEL CELLS LIMITED (AU) 1999-05-27 WO claimed
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-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
EP-1214277-A4 MALT EXTRACT OR SPENT GRAIN LIQUOR BASED FERTILIZER CARLTON & UNITED BREWERIES (AU) 2004-09-08 EP disclosed
EP-1214277-A1 MALT EXTRACT OR SPENT GRAIN LIQUOR BASED FERTILIZER CARLTON AND UNITED BREWERIES LIMITED (AU) 2002-06-19 EP disclosed
WO-2001007380-A1 MALT EXTRACT OR SPENT GRAIN LIQUOR BASED FERTILIZER CARLTON AND UNITED BREWERIES LIMITED (AU) 2001-02-01 WO disclosed
WO-2000015007-A1 A PLASTICS MATERIAL IN COMBINATION WITH A PARAMAGNETIC SILICATE CHURCHMAN ALLAN ERNEST (GB) 2000-03-16 WO disclosed
WO-1999025890-A1 A HEAT RESISTANT STEEL CERAMIC FUEL CELLS LIMITED (AU) 1999-05-27 WO 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 3853/4885USP30 2106/4885KIFC1 3917/4885

“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.