SCHEMBL5773335

SCHEMBL5773335

O=C(O)CCc1c(-c2ccccc2)noc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.49
RXRA P19793 10/20 0.49
RXRB P28702 10/20 0.49
RXRG P48443 7/20 0.49
NR4A2 P43354 3/20 0.49
KDM4E B2RXH2 1/20 0.49
ABCC4 O15439 1/20 0.49
C5 P01031 1/20 0.49
LMNA P02545 1/20 0.49
CHRM2 P08172 1/20 0.49
CYP3A4 P08684 1/20 0.49
CHRM1 P11229 1/20 0.49
DRD2 P14416 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
TBXA2R P21731 1/20 0.49
NR4A1 P22736 1/20 0.49
PTGS1 P23219 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49

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
SCHEMBL5774112 0.84 RXRA (0.56) FFAR4RXRARXRBRXRGNR4A2
SCHEMBL27659285 0.77 DPP4 (0.45) PTGS1PTGS2ALDH1A1
SCHEMBL6170053 0.75 PTGS2 (0.59) FFAR4RXRARXRBRXRGNR4A2
SCHEMBL2279660 0.71 NR4A2 (0.54) FFAR4RXRARXRBRXRGNR4A2
SCHEMBL5773143 0.71 FFAR4 (0.51) FFAR4RXRARXRBRXRGNR4A2
SCHEMBL22769587 0.71 PTGS1 (0.48) FFAR4RXRARXRBRXRGNR4A2
SCHEMBL5772667 0.71 FFAR4 (0.65) FFAR4RXRARXRBRXRGTSHR
SCHEMBL27495332 0.70 ALDH1A1 (0.59) KDM4ETSHRPTGS1PTGS2ALDH1A1
SCHEMBL5777434 0.69 FFAR4 (0.66) FFAR4RXRARXRBRXRGKDM4E
SCHEMBL27749854 0.68 PTGS2 (0.58) FFAR4NR4A2CYP3A4TSHRNR4A1

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 143/4885RXRA 445/4885RXRB 494/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 FFAR4 145/4885RXRA 462/4885RXRB 550/4885

“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.