SCHEMBL5772554

SCHEMBL5772554

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

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 8/20 0.46
FFAR1 O14842 6/20 0.38
TSHR P16473 1/20 0.37
IDO1 P14902 2/20 0.36
PARP1 P09874 1/20 0.35
S1PR1 P21453 1/20 0.35
PTGDR2 Q9Y5Y4 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
SCHEMBL5771214 0.86 FFAR4 (0.39) FFAR4IDO1
SCHEMBL5777241 0.85 FFAR4 (0.51) FFAR4FFAR1TSHRS1PR1
SCHEMBL5773644 0.82 FFAR4 (0.48) FFAR4FFAR1TSHRS1PR1
SCHEMBL5776250 0.82 CA2 (0.35) IDO1PARP1
SCHEMBL5775809 0.81 PARP1 (0.36) IDO1PARP1
SCHEMBL5772712 0.79 FFAR4 (0.66) FFAR4FFAR1TSHR
SCHEMBL5775477 0.78 RXRA (0.53) FFAR4FFAR1TSHR
SCHEMBL5771405 0.77 FFAR4 (0.52) FFAR4FFAR1TSHR
SCHEMBL5773336 0.75 FFAR4 (0.48) FFAR4FFAR1
SCHEMBL5775401 0.75 FFAR1 (0.40) FFAR4FFAR1TSHR

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 178/4885TSHR 534/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 FFAR4 145/4885FFAR1 90/4885TSHR 583/4885

“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.