SCHEMBL5773998

SCHEMBL5773998

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.46
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 4/20 0.42
ALOX15 P16050 2/20 0.42
APEX1 P27695 1/20 0.42
FFAR4 Q5NUL3 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
GLA P06280 1/20 0.39
MAPK1 P28482 2/20 0.39
USP2 O75604 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 2/20 0.39
HPGD P15428 2/20 0.39
CYP2C19 P33261 2/20 0.39

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
SCHEMBL5774948 0.87 FFAR1 (0.51) FFAR1KDM4EALDH1A1HSD17B10MAPK1
SCHEMBL5774472 0.86 RXRA (0.50) FFAR1KDM4EALDH1A1HSD17B10MAPK1
SCHEMBL5776861 0.85 PPARA (0.48) FFAR1KDM4EALDH1A1HSD17B10ALOX15
SCHEMBL5772923 0.85 TSHR (0.55) FFAR1KDM4EALDH1A1HSD17B10APEX1
SCHEMBL5772507 0.85 RXRA (0.50) FFAR1KDM4EALDH1A1HSD17B10ALOX15
SCHEMBL5774001 0.85 FFAR1 (0.49) FFAR1FFAR4PPARGPPARDPPARA
SCHEMBL5774825 0.85 FFAR1 (0.42) FFAR1FFAR4PPARATSHRCCNC
SCHEMBL5773931 0.83 CYP11B1 (0.44) FFAR1KDM4EALDH1A1PPARAL3MBTL1
SCHEMBL5777386 0.82 LMNA (0.47) KDM4EALDH1A1MAPK1MAPTSMN1; SMN2
SCHEMBL5774360 0.82 LMNA (0.57) FFAR1KDM4EALDH1A1HSD17B10ALOX15

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 178/4885KDM4E 3953/4885ALDH1A1 1045/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 FFAR1 90/4885KDM4E 3347/4885ALDH1A1 682/4885

“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.