SCHEMBL3881447

SCHEMBL3881447

Cc1nc(C(=O)O)ccc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ASPH Q12797 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ACMSD Q8TDX5 1/20 0.42
SORT1 Q99523 3/20 0.40
RBP4 P02753 4/20 0.40
KMO O15229 4/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
MGAM O43451 1/20 0.39
DAO P14920 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.37
TTR P02766 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL31003326 0.85 KIF11 (0.39) KDM4EL3MBTL1TSHRSORT1CNR2
SCHEMBL13920229 0.83 KDM4E (0.53) KDM4EL3MBTL1TDP1ALOX15TSHR
SCHEMBL27655824 0.79 KDM4E (0.43) KDM4EL3MBTL1ASPHTDP1ALOX15
SCHEMBL5437481 0.78 CYP1A2 (0.56) KDM4EL3MBTL1MAPTRAB9ACNR2
SCHEMBL29028875 0.78 ASPH (0.42) KDM4EL3MBTL1ASPHTDP1ALOX15
SCHEMBL6255502 0.78 XPO1 (0.47) KDM4EASPHTDP1ALOX15TSHR
SCHEMBL3878123 0.77 CNR2 (0.38) KDM4ETSHRMAPTRAB9ACNR2
SCHEMBL6258123 0.75 ASPH (0.40) KDM4EL3MBTL1ASPHTDP1ALOX15
SCHEMBL17785204 0.75 KDM4E (0.56) KDM4EL3MBTL1ASPHTDP1ALOX15
SCHEMBL1105941 0.74 KDM4E (0.43) KDM4EL3MBTL1TDP1ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9868748-B2 Thiazolopyrrolidine inhibitors of ROR- γ VITAE PHARMACEUTICALS, INC. (US) 2018-01-16 US disclosed
US-20170008910-A1 THIAZOLOPYRROLIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2017-01-12 US disclosed
WO-2014179564-A1 THIAZALOPYRROLIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, INC. (US) 2014-11-06 WO disclosed
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
CN-101119968-B Heterocyclically substituted phenyl methanone derivatives as glycine transporter 1 inhibitors HOFFMANN LA ROCHE 2011-08-31 CN disclosed
EP-1848694-B1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 HOFFMANN LA ROCHE (CH) 2009-11-25 EP disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
CN-101119968-A Heterocyclically substituted phenyl methanone derivatives as glycine transporter 1 inhibitors HOFFMANN LA ROCHE (CH) 2008-02-06 CN disclosed
EP-1848694-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F. Hoffmann-Roche AG (CH) 2007-10-31 EP disclosed
CN-1906165-A New herbicides SYNGENTA PARTICIPATIONS AG (CH) 2007-01-31 CN disclosed
WO-2006082001-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F.HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed
US-20060178381-A1 Heterocyclic-substituted phenyl methanones HOFFMANN-LA ROCHE INC. 2006-08-10 US 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 (3 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-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES CYP2B6, CYP2D6, CYP1A2 KDM4E 1959/4885L3MBTL1 4593/4885ASPH 1596/4885
US-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 KDM4E 1959/4885L3MBTL1 4593/4885ASPH 1596/4885
US-20170008910-A1 THIAZOLOPYRROLIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA KDM4E 3572/4885L3MBTL1 4598/4885ASPH 3420/4885

“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.