SCHEMBL5773380

SCHEMBL5773380

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.45
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
RXRG P48443 2/20 0.42
FFAR4 Q5NUL3 3/20 0.40
KMO O15229 2/20 0.40
TSHR P16473 1/20 0.40
GCGR P47871 2/20 0.39
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 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
SCHEMBL5774812 0.90 FFAR1 (0.42) FFAR1RXRARXRBRXRGFFAR4
SCHEMBL5768932 0.89 FFAR1 (0.43) FFAR1RXRARXRBRXRGFFAR4
SCHEMBL5774825 0.88 FFAR1 (0.42) FFAR1FFAR4TSHRCCNCCDK8
SCHEMBL5773868 0.88 RXRA (0.53) FFAR1RXRARXRBRXRGKMO
SCHEMBL5773927 0.86 CCNC (0.41) FFAR1KMOCCNCCDK8CYP11B1
SCHEMBL5777600 0.85 RXRA (0.42) FFAR1RXRARXRBRXRGFFAR4
SCHEMBL5775401 0.82 FFAR1 (0.40) FFAR1FFAR4TSHRCCNCCDK8
SCHEMBL5773727 0.82 SIRT2 (0.37) KMOCYP11B1CYP11B2
SCHEMBL5772923 0.81 TSHR (0.55) FFAR1RXRARXRBRXRGFFAR4
SCHEMBL5773998 0.81 FFAR1 (0.46) FFAR1RXRARXRBRXRGFFAR4

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 178/4885RXRA 445/4885RXRB 494/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 FFAR1 90/4885RXRA 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.