SCHEMBL5773644

SCHEMBL5773644

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 6/20 0.48
FFAR1 O14842 6/20 0.45
RXRA P19793 3/20 0.42
RXRB P28702 3/20 0.42
RXRG P48443 3/20 0.42
KMO O15229 2/20 0.40
TSHR P16473 1/20 0.40
PTGS1 P23219 1/20 0.38
EPHX2 P34913 1/20 0.38
PTGS2 P35354 1/20 0.38
S1PR1 P21453 1/20 0.37
GCGR P47871 1/20 0.37
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL5777241 0.90 FFAR4 (0.51) FFAR4FFAR1RXRARXRBRXRG
SCHEMBL5775477 0.88 RXRA (0.53) FFAR4FFAR1RXRARXRBRXRG
SCHEMBL5771218 0.86 FFAR4 (0.41) FFAR4FFAR1TRPV1
SCHEMBL5772554 0.82 FFAR4 (0.46) FFAR4FFAR1TSHRS1PR1
SCHEMBL5776636 0.82 SIRT2 (0.37) FFAR4FFAR1KMOTRPV1
SCHEMBL5774132 0.81 KMO (0.36) KMOTRPV1
SCHEMBL5772712 0.81 FFAR4 (0.66) FFAR4FFAR1RXRARXRBRXRG
SCHEMBL5771405 0.77 FFAR4 (0.52) FFAR4FFAR1RXRARXRBRXRG
SCHEMBL5773773 0.76 FFAR4 (0.43) FFAR4
SCHEMBL5773336 0.75 FFAR4 (0.48) FFAR4FFAR1RXRARXRBRXRG

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 178/4885RXRA 445/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 FFAR4 145/4885FFAR1 90/4885RXRA 462/4885

“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.