SCHEMBL5771214

SCHEMBL5771214

COC(=O)CCc1conc1-c1ccc(F)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.39
IDO1 P14902 4/20 0.38
GABRA5 P31644 10/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
MIF P14174 1/20 0.36
MAPK1 P28482 1/20 0.35
RPS6KB2 Q9UBS0 1/20 0.34

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
SCHEMBL5773773 0.86 FFAR4 (0.43) FFAR4GABRA5CCNCCDK8MIF
SCHEMBL5772554 0.86 FFAR4 (0.46) FFAR4IDO1
SCHEMBL5771218 0.84 FFAR4 (0.41) FFAR4GABRA5CCNCCDK8MIF
SCHEMBL5776310 0.81 FFAR4 (0.55) FFAR4GABRA5
SCHEMBL5772569 0.80 MAPT (0.46) FFAR4GABRA5CCNCCDK8
SCHEMBL5776250 0.78 CA2 (0.35) IDO1GABRA5
SCHEMBL5775809 0.78 PARP1 (0.36) IDO1GABRA5MAPK1
SCHEMBL5775587 0.77 CCNC (0.41) IDO1CCNCCDK8MIFMAPK1
SCHEMBL5769963 0.72 MEN1 (0.41) IDO1
SCHEMBL23497373 0.72 PTPN1 (0.45) IDO1

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 143/4885IDO1 1275/4885GABRA5 707/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 FFAR4 145/4885IDO1 693/4885GABRA5 991/4885

“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.