SCHEMBL5773615

SCHEMBL5773615

O=C(O)CCc1cnoc1-c1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.56
RXRB P28702 10/20 0.56
RXRG P48443 9/20 0.56
NR4A2 P43354 1/20 0.56
FFAR1 O14842 5/20 0.48
PPARG P37231 1/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
TDO2 P48775 1/20 0.43
PTGER1 P34995 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
TSHR P16473 1/20 0.41
DGAT1 O75907 1/20 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
SCHEMBL5770527 0.86 RXRA (0.53) RXRARXRBRXRGNR4A2FFAR1
SCHEMBL5772977 0.85 VEGFA (0.43) RXRARXRBRXRGNR4A2FFAR1
SCHEMBL5774472 0.84 RXRA (0.50) RXRARXRBRXRGNR4A2FFAR1
SCHEMBL5772923 0.83 TSHR (0.55) RXRARXRBRXRGFFAR1TSHR
SCHEMBL5773868 0.83 RXRA (0.53) RXRARXRBRXRGNR4A2FFAR1
SCHEMBL5774812 0.82 FFAR1 (0.42) RXRARXRBRXRGNR4A2FFAR1
SCHEMBL5774948 0.82 FFAR1 (0.51) RXRARXRBRXRGNR4A2FFAR1
SCHEMBL5774842 0.81 TDO2 (0.44) RXRARXRBRXRGNR4A2PTPN2
SCHEMBL5768932 0.81 FFAR1 (0.43) RXRARXRBRXRGFFAR1TSHR
SCHEMBL5776120 0.80 TDO2 (0.49) RXRARXRBRXRGNR4A2FFAR1

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 RXRA 445/4885RXRB 494/4885RXRG 503/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 RXRA 462/4885RXRB 550/4885RXRG 628/4885

“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.