SCHEMBL5776861

SCHEMBL5776861

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.48
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 4/20 0.48
TSHR P16473 4/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
PKM P14618 1/20 0.48
PPARG P37231 1/20 0.48
NCOA2 Q15596 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
KDM4E B2RXH2 4/20 0.42
RECQL P46063 2/20 0.42
POLB P06746 2/20 0.42
CNKSR1 Q969H4 1/20 0.42
GAA P10253 1/20 0.42
CASP6 P55212 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FFAR4 Q5NUL3 3/20 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
SCHEMBL5774948 0.87 FFAR1 (0.51) ALDH1A1HSD17B10TSHRMAPTHPGD
SCHEMBL5774472 0.86 RXRA (0.50) ALDH1A1HSD17B10TSHRMAPTHPGD
SCHEMBL5772507 0.85 RXRA (0.50) PPARAALDH1A1HSD17B10MAPTHPGD
SCHEMBL5773998 0.85 FFAR1 (0.46) PPARAALDH1A1HSD17B10TSHRMAPT
SCHEMBL5772923 0.85 TSHR (0.55) ALDH1A1HSD17B10TSHRMAPTHPGD
SCHEMBL5776590 0.83 PPARA (0.47) PPARAALDH1A1HSD17B10MAPTHPGD
SCHEMBL5774001 0.82 FFAR1 (0.49) PPARAPPARGFFAR4FFAR1RXRA
SCHEMBL5773431 0.82 FFAR4 (0.45) PPARAALDH1A1TSHRMAPTHPGD
SCHEMBL5774825 0.82 FFAR1 (0.42) PPARATSHRNPSR1FFAR4FFAR1
SCHEMBL5774360 0.82 LMNA (0.57) PPARAALDH1A1HSD17B10MAPTHPGD

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 PPARA 602/4885ALDH1A1 1045/4885HSD17B10 305/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 PPARA 247/4885ALDH1A1 682/4885HSD17B10 194/4885

“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.