SCHEMBL5772923

SCHEMBL5772923

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
RXRA P19793 4/20 0.50
RXRB P28702 4/20 0.50
RXRG P48443 4/20 0.50
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
HTT P42858 1/20 0.48
GFER P55789 1/20 0.48
FFAR4 Q5NUL3 8/20 0.47
FFAR1 O14842 2/20 0.46
S1PR1 P21453 1/20 0.42
MAP4K4 O95819 1/20 0.42
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP2C9 P11712 1/20 0.42

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) TSHRRXRARXRBRXRGKDM4E
SCHEMBL5774472 0.86 RXRA (0.50) TSHRRXRARXRBRXRGKDM4E
SCHEMBL5770527 0.85 RXRA (0.53) TSHRRXRARXRBRXRGFFAR4
SCHEMBL5772507 0.85 RXRA (0.50) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL5776861 0.85 PPARA (0.48) TSHRRXRARXRBRXRGKDM4E
SCHEMBL5773998 0.85 FFAR1 (0.46) TSHRRXRARXRBRXRGKDM4E
SCHEMBL5773868 0.85 RXRA (0.53) TSHRRXRARXRBRXRGFFAR1
SCHEMBL5774812 0.84 FFAR1 (0.42) TSHRRXRARXRBRXRGFFAR4
SCHEMBL5773378 0.83 CYP11B1 (0.45) TSHRKDM4EALDH1A1MAPTFFAR4
SCHEMBL5773615 0.83 RXRA (0.56) TSHRRXRARXRBRXRGFFAR1

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 TSHR 534/4885RXRA 445/4885RXRB 494/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 TSHR 583/4885RXRA 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.