SCHEMBL5773966

SCHEMBL5773966

OCCCc1cnoc1-c1cc(Cl)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.39
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
IDO1 P14902 1/20 0.34
TLR8 Q9NR97 4/20 0.33
EPHX2 P34913 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
CNR2 P34972 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
RAB9A P51151 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN11 Q06124 1/20 0.33
HTR2B P41595 1/20 0.33
PDE4D Q08499 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
TDO2 P48775 1/20 0.33

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
SCHEMBL5776428 0.89 SIRT2 (0.39) SIRT2TLR8RAB9A
SCHEMBL5773429 0.85 RAB9A (0.38) RXRARXRBIDO1EPHX2HPGD
SCHEMBL5774165 0.83 ATM (0.39) SIRT2RXRARXRBTLR8HPGD
SCHEMBL5770707 0.81 RXRA (0.53) RXRARXRBMEN1POLBKMT2A
SCHEMBL5773401 0.81 IDO1 (0.38) RXRARXRBIDO1EPHX2HPGD
SCHEMBL5774173 0.80 SIRT2 (0.52) SIRT2TLR8CYP11B1CYP11B2RAB9A
SCHEMBL5771560 0.79 SIRT2 (0.40) SIRT2RXRARXRBTLR8EPHX2
SCHEMBL5774842 0.78 TDO2 (0.44) SIRT2RXRARXRBTLR8TDO2
SCHEMBL5776254 0.77 MAPT (0.42) RXRARXRBCYP11B1CYP11B2MEN1
SCHEMBL5774149 0.77 SIRT2 (0.38) SIRT2TLR8HPGDMEN1POLB

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.