SCHEMBL5774001

SCHEMBL5774001

O=C(O)CCc1cnoc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.49
FFAR4 Q5NUL3 2/20 0.45
PPARG P37231 5/20 0.43
PPARA Q07869 5/20 0.43
PPARD Q03181 5/20 0.43
NR1H4 Q96RI1 1/20 0.41
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
MLYCD O95822 1/20 0.41

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
SCHEMBL5771681 0.85 TRPV1 (0.43) FFAR1PPARAHDAC1HDAC2HDAC8
SCHEMBL5773998 0.85 FFAR1 (0.46) FFAR1FFAR4PPARGPPARAPPARD
SCHEMBL5773606 0.83 MAPT (0.48) HDAC1MLYCD
SCHEMBL5773472 0.83 FFAR4 (0.50) FFAR1FFAR4PPARGPPARAPPARD
SCHEMBL5774948 0.83 FFAR1 (0.51) FFAR1RXRARXRBRXRG
SCHEMBL5774472 0.83 RXRA (0.50) FFAR1RXRARXRBRXRG
Trifluoroacetic Acid SCHEMBL5771101 0.82 TP53 (0.46)
SCHEMBL5772923 0.82 TSHR (0.55) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL5772507 0.82 RXRA (0.50) FFAR1FFAR4PPARGPPARAPPARD
SCHEMBL5776861 0.82 PPARA (0.48) FFAR1FFAR4PPARGPPARARXRA

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 FFAR1 178/4885FFAR4 143/4885PPARG 480/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 FFAR1 90/4885FFAR4 145/4885PPARG 158/4885

“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.