SCHEMBL5774812

SCHEMBL5774812

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.42
TSHR P16473 1/20 0.42
RXRA P19793 4/20 0.42
RXRB P28702 4/20 0.42
RXRG P48443 4/20 0.42
RPA1 P27694 1/20 0.41
FFAR4 Q5NUL3 3/20 0.41
GCGR P47871 2/20 0.40
KMO O15229 2/20 0.40
S1PR1 P21453 1/20 0.39
NR4A2 P43354 1/20 0.38

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 0.90 FFAR1 (0.45) FFAR1TSHRRXRARXRBRXRG
SCHEMBL5773868 0.88 RXRA (0.53) FFAR1TSHRRXRARXRBRXRG
SCHEMBL5774825 0.88 FFAR1 (0.42) FFAR1TSHRFFAR4
SCHEMBL5777338 0.86 CCNC (0.41) FFAR1RPA1
SCHEMBL5775401 0.85 FFAR1 (0.40) FFAR1TSHRFFAR4
SCHEMBL5772923 0.84 TSHR (0.55) FFAR1TSHRRXRARXRBRXRG
SCHEMBL5768932 0.84 FFAR1 (0.43) FFAR1TSHRRXRARXRBRXRG
SCHEMBL5777600 0.82 RXRA (0.42) FFAR1TSHRRXRARXRBRXRG
SCHEMBL5773615 0.82 RXRA (0.56) FFAR1TSHRRXRARXRBRXRG
SCHEMBL5770999 0.82 SIRT2 (0.40) RPA1FFAR4KMO

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 178/4885TSHR 534/4885RXRA 445/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 FFAR1 90/4885TSHR 583/4885RXRA 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.