SCHEMBL5774537

SCHEMBL5774537

OCCCc1cnoc1-c1ccc(Cl)c(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.37
PPARA Q07869 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NOTUM Q6P988 1/20 0.31
CA2 P00918 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
SCHEMBL5771560 0.88 SIRT2 (0.40) SIRT2MEN1KMT2ANOTUM
SCHEMBL5777173 0.86 NOTUM (0.36) PPARAMEN1KMT2ANOTUM
SCHEMBL5774149 0.85 SIRT2 (0.38) SIRT2PPARAMEN1KMT2A
SCHEMBL5777075 0.84 CA2 (0.38) SIRT2PPARAMEN1KMT2ACA2
SCHEMBL5773727 0.84 SIRT2 (0.37) SIRT2MEN1KMT2ACA2
SCHEMBL5777600 0.82 RXRA (0.42) PPARA
SCHEMBL5770999 0.82 SIRT2 (0.40) SIRT2CA2
SCHEMBL5774064 0.80 PPARA (0.42) SIRT2PPARAMEN1KMT2A
SCHEMBL5774173 0.80 SIRT2 (0.52) SIRT2NOTUM
SCHEMBL5774842 0.78 TDO2 (0.44) SIRT2NOTUM

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 1426/4885PPARA 602/4885MEN1 2811/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 SIRT2 738/4885PPARA 247/4885MEN1 2072/4885

“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.