SCHEMBL5776636

SCHEMBL5776636

OCCCc1conc1-c1ccc(Cl)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.37
GABRA5 P31644 4/20 0.36
KMO O15229 2/20 0.33
SIRT1 Q96EB6 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
CA2 P00918 1/20 0.33
FFAR4 Q5NUL3 2/20 0.32
NOTUM Q6P988 1/20 0.32
MAPK14 Q16539 2/20 0.31
FFAR1 O14842 1/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
CYP1A2 P05177 1/20 0.31
NAMPT P43490 1/20 0.31
ERCC5 P28715 1/20 0.30
FEN1 P39748 1/20 0.30
ABL1 P00519 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
SCHEMBL5771839 0.90 SIRT2 (0.40) SIRT2GABRA5KMOCA2FFAR4
SCHEMBL5777368 0.88 SIRT2 (0.40) SIRT2GABRA5KMOFFAR4NOTUM
SCHEMBL5774132 0.86 KMO (0.36) GABRA5KMOSIRT1TRPV1NOTUM
SCHEMBL5773644 0.82 FFAR4 (0.48) KMOTRPV1FFAR4FFAR1
SCHEMBL5776250 0.82 CA2 (0.35) SIRT2GABRA5CA2MAPK14MAPK13
SCHEMBL3223595 0.79 AHR (0.38) GABRA5KMOFFAR4NOTUM
SCHEMBL5771218 0.78 FFAR4 (0.41) GABRA5TRPV1FFAR4FFAR1ABL1
SCHEMBL5775299 0.75 ADORA2A (0.38) GABRA5KMONOTUM
SCHEMBL5773727 0.74 SIRT2 (0.37) SIRT2KMOTRPV1CA2CYP1A2
SCHEMBL5776936 0.73 AHR (0.41) GABRA5KMONOTUM

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 1426/4885GABRA5 707/4885KMO 1576/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 SIRT2 738/4885GABRA5 991/4885KMO 1428/4885

“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.