SCHEMBL5774112

SCHEMBL5774112

O=C(O)CCc1c(-c2ccccc2)noc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.56
RXRB P28702 12/20 0.56
RXRG P48443 8/20 0.56
NR4A2 P43354 5/20 0.56
PTGS1 P23219 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ABCC4 O15439 1/20 0.56
C5 P01031 1/20 0.56
LMNA P02545 1/20 0.56
CHRM2 P08172 1/20 0.56
CYP3A4 P08684 1/20 0.56
CHRM1 P11229 1/20 0.56
DRD2 P14416 1/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
TBXA2R P21731 1/20 0.56
NR4A1 P22736 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
MAPK1 P28482 1/20 0.56

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
SCHEMBL22769587 0.85 PTGS1 (0.48) RXRARXRBRXRGNR4A2PTGS1
SCHEMBL5773335 0.84 FFAR4 (0.49) RXRARXRBRXRGNR4A2PTGS1
SCHEMBL2279660 0.84 NR4A2 (0.54) RXRARXRBRXRGNR4A2PTGS1
SCHEMBL5773143 0.83 FFAR4 (0.51) RXRARXRBRXRGNR4A2PTGS1
SCHEMBL22769588 0.80 HDAC1 (0.54) RXRARXRBRXRGNR4A2PTGS1
SCHEMBL31526337 0.78 PTGS1 (0.47) PTGS1PTGS2FFAR4
SCHEMBL22769599 0.76 PTGS1 (0.50) NR4A2PTGS1KDM4ENR4A1MAPK1
SCHEMBL5729762 0.76 NR4A2 (0.45) NR4A2PTGS1KDM4ELMNAFFAR4
SCHEMBL6170053 0.75 PTGS2 (0.59) RXRARXRBRXRGNR4A2PTGS1
SCHEMBL12406914 0.75 PTGS1 (0.59) NR4A2PTGS1KDM4ELMNAHPGD

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 RXRA 445/4885RXRB 494/4885RXRG 503/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 RXRA 462/4885RXRB 550/4885RXRG 628/4885

“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.