SCHEMBL5773727

SCHEMBL5773727

OCCCc1cnoc1-c1ccc(Cl)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.37
CA2 P00918 1/20 0.35
CYP11B1 P15538 4/20 0.34
CYP11B2 P19099 4/20 0.34
KMO O15229 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.31
KCNH2 Q12809 2/20 0.31
ERCC5 P28715 1/20 0.30
FEN1 P39748 1/20 0.30
ABL1 P00519 1/20 0.30
CNR2 P34972 1/20 0.30
EGLN2 Q96KS0 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
SCHEMBL5770999 0.90 SIRT2 (0.40) SIRT2CA2CYP11B1CYP11B2KMO
SCHEMBL5774149 0.88 SIRT2 (0.38) SIRT2MEN1KMT2AKCNH2ABL1
SCHEMBL5771560 0.88 SIRT2 (0.40) SIRT2MEN1KMT2A
SCHEMBL5774745 0.88 CA2 (0.38) SIRT2CA2CYP11B1CYP11B2MEN1
SCHEMBL5772390 0.86 KMO (0.36) CYP11B1CYP11B2KMOTRPV1MEN1
SCHEMBL5774537 0.84 SIRT2 (0.37) SIRT2CA2MEN1KMT2A
SCHEMBL5773380 0.82 FFAR1 (0.45) CYP11B1CYP11B2KMO
SCHEMBL5777075 0.82 CA2 (0.38) SIRT2CA2MEN1KMT2ACYP1A2
SCHEMBL5774173 0.80 SIRT2 (0.52) SIRT2CYP11B1CYP11B2
SCHEMBL5777551 0.80 TDO2 (0.42) SIRT2CA2CYP11B1CYP11B2MEN1

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 1426/4885CA2 981/4885CYP11B1 10/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 SIRT2 738/4885CA2 988/4885CYP11B1 9/4885

“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.