SCHEMBL5771241

SCHEMBL5771241

OCCCc1cnoc1-c1cc(Cl)cc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.39
RXRA P19793 4/20 0.34
RXRB P28702 4/20 0.34
RXRG P48443 4/20 0.34
TLR8 Q9NR97 1/20 0.33
PLK1 P53350 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL5774842 0.85 TDO2 (0.44) SIRT2RXRARXRBRXRGTLR8
SCHEMBL5774173 0.84 SIRT2 (0.52) SIRT2TLR8CYP11B1CYP11B2
SCHEMBL5774711 0.83 RXRA (0.34) RXRARXRBRXRGMEN1KMT2A
SCHEMBL5771560 0.81 SIRT2 (0.40) SIRT2RXRARXRBRXRGTLR8
SCHEMBL5770999 0.80 SIRT2 (0.40) SIRT2CYP11B1CYP11B2
SCHEMBL5770527 0.79 RXRA (0.53) RXRARXRBRXRG
SCHEMBL5774149 0.79 SIRT2 (0.38) SIRT2TLR8MEN1KMT2A
SCHEMBL5774745 0.78 CA2 (0.38) SIRT2MEN1KMT2ACYP11B1CYP11B2
SCHEMBL5776248 0.78 TDO2 (0.45) SIRT2RXRARXRBRXRGCYP11B1
SCHEMBL5773727 0.77 SIRT2 (0.37) SIRT2MEN1KMT2ACYP11B1CYP11B2

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 SIRT2 1426/4885RXRA 445/4885RXRB 494/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 SIRT2 738/4885RXRA 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.