SCHEMBL5774825

SCHEMBL5774825

O=C(O)CCc1cnoc1-c1ccc(F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.42
TSHR P16473 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
FFAR4 Q5NUL3 3/20 0.38
PPARA Q07869 1/20 0.36
GRK6 P43250 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
SCHEMBL5773380 0.88 FFAR1 (0.45) FFAR1TSHRCCNCCDK8FFAR4
SCHEMBL5775401 0.88 FFAR1 (0.40) FFAR1TSHRCCNCCDK8FFAR4
SCHEMBL5774812 0.88 FFAR1 (0.42) FFAR1TSHRFFAR4
SCHEMBL5773992 0.85 CCNC (0.43) FFAR1CCNCCDK8PPARA
SCHEMBL5773998 0.85 FFAR1 (0.46) FFAR1TSHRCCNCCDK8FFAR4
SCHEMBL5772923 0.82 TSHR (0.55) FFAR1TSHRFFAR4
SCHEMBL5776861 0.82 PPARA (0.48) FFAR1TSHRCCNCCDK8NPSR1
SCHEMBL5773868 0.81 RXRA (0.53) FFAR1TSHRCCNCCDK8
SCHEMBL5774745 0.81 CA2 (0.38) PPARA
SCHEMBL5774948 0.80 FFAR1 (0.51) FFAR1TSHRCCNCCDK8

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US claimed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US claimed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP claimed
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 178/4885TSHR 534/4885CCNC 3936/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 FFAR1 90/4885TSHR 583/4885CCNC 3879/4885

“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.