SCHEMBL5775740

SCHEMBL5775740

O=C(O)CCc1cnoc1-c1ccc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 7/20 0.38
FFAR1 O14842 4/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
PLK4 O00444 1/20 0.38
AURKA O14965 1/20 0.38
MAPK13 O15264 1/20 0.38
DAPK3 O43293 1/20 0.38
ROCK2 O75116 1/20 0.38
CHEK2 O96017 1/20 0.38
CDK1 P06493 1/20 0.38
CSF1R P07333 1/20 0.38
PIM1 P11309 1/20 0.38
FGFR1 P11362 1/20 0.38
PRKACA P17612 1/20 0.38
FGFR3 P22607 1/20 0.38
RPS6KB1 P23443 1/20 0.38
CDK2 P24941 1/20 0.38
MARK3 P27448 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL5773883 0.85 CCNC (0.40) PLK4AURKAMAPK13DAPK3ROCK2
SCHEMBL5774635 0.81 CA2 (0.37) PLK4AURKAMAPK13DAPK3ROCK2
SCHEMBL5773998 0.81 FFAR1 (0.46) FFAR4FFAR1PTGDR2CCNCCDK8
SCHEMBL5772943 0.80 PLK4 (0.36) PLK4AURKAMAPK13DAPK3ROCK2
SCHEMBL5776160 0.77 IDO1 (0.34) PLK4AURKAMAPK13DAPK3ROCK2
SCHEMBL5774825 0.77 FFAR1 (0.42) FFAR4FFAR1CCNCCDK8
SCHEMBL5774926 0.76 TP53 (0.44) FFAR4FFAR1GCGRALPLRXRA
SCHEMBL5774812 0.74 FFAR1 (0.42) FFAR4FFAR1KMOGCGRRXRA
SCHEMBL5775401 0.74 FFAR1 (0.40) FFAR4FFAR1CCNCCDK8
SCHEMBL5773380 0.74 FFAR1 (0.45) FFAR4FFAR1KMOGCGRCCNC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 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 (2 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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR FFAR4 143/4885FFAR1 178/4885PTGDR2 1756/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 FFAR4 145/4885FFAR1 90/4885PTGDR2 1783/4885

“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.