SCHEMBL3546783

SCHEMBL3546783

CC(C)(C)OC(=O)Nc1cc(Oc2cccc(CCC(=O)O)c2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.48
FFAR1 O14842 10/20 0.47
FFAR4 Q5NUL3 3/20 0.47
NR3C2 P08235 3/20 0.47
GNA15 P30679 1/20 0.45
PTGER3 P43115 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
P2RX3 P56373 1/20 0.44
RAF1 P04049 1/20 0.42
BRAF P15056 1/20 0.42
SUCNR1 Q9BXA5 1/20 0.40
NR3C1 P04150 1/20 0.39
SYK P43405 1/20 0.39

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
SCHEMBL3543058 0.91 NR3C2 (0.48) GCKFFAR1FFAR4NR3C2P2RX3
SCHEMBL3544821 0.86 GCK (0.53) GCKFFAR1FFAR4NR3C2GNA15
SCHEMBL5908257 0.85 NR3C2 (0.47) NR3C2
SCHEMBL13547772 0.84 BRAF (0.48) NR3C2P2RX3RAF1BRAF
SCHEMBL3542280 0.82 FFAR1 (0.49) FFAR1FFAR4GNA15PTGER3TDP1
SCHEMBL29888248 0.79 MEN1 (0.52) GCKNR3C2P2RX3
SCHEMBL1193099 0.79 MEN1 (0.52) GCKNR3C2P2RX3
SCHEMBL7336976 0.79 NPC1 (0.46) NR3C2
SCHEMBL3556870 0.77 P2RX3 (0.50) GCKP2RX3BRAF
SCHEMBL3541965 0.76 NR3C2 (0.53) GCKNR3C2P2RX3RAF1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652041-B2 4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridino-2-carboxamido: N-methyl-4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridine-2-carboxamide: Raf-kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-01-26 US disclosed
US-7652041-B2 4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridino-2-carboxamido: N-methyl-4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridine-2-carboxamide: Raf-kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-01-26 US disclosed
US-7652041-B2 4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridino-2-carboxamido: N-methyl-4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridine-2-carboxamide: Raf-kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-01-26 US disclosed
EP-1856053-A1 CINNAMIDE AND HYDROCINNAMIDE DERIVATIVES WITH RAF-KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-11-21 EP disclosed
WO-2006076706-A1 CINNAMIDE AND HYDROCINNAMIDE DERIVATIVES WITH RAF-KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-20 WO disclosed
US-20060160803-A1 Cinnamide and hydrocinnamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-20 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 (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-20060160803-A1 Cinnamide and hydrocinnamide derivatives with kinase inhibitory activity MAP3K21, HIPK4, MAP3K20 GCK 502/4885FFAR1 2294/4885FFAR4 2477/4885

“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.