SCHEMBL5776250

SCHEMBL5776250

OCCCc1conc1-c1ccc(F)c(Br)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
IDO1 P14902 7/20 0.34
PARP1 P09874 1/20 0.34
GABRA5 P31644 4/20 0.34
IDO2 Q6ZQW0 2/20 0.33
MAPK14 Q16539 2/20 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
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL5775809 0.86 PARP1 (0.36) IDO1PARP1GABRA5MAPK14MAPK13
SCHEMBL5771839 0.84 SIRT2 (0.40) CA2SIRT2IDO1GABRA5
SCHEMBL5772554 0.82 FFAR4 (0.46) IDO1PARP1
SCHEMBL5776636 0.82 SIRT2 (0.37) CA2SIRT2GABRA5MAPK14MAPK13
SCHEMBL5771214 0.78 FFAR4 (0.39) IDO1GABRA5
SCHEMBL5777368 0.77 SIRT2 (0.40) SIRT2IDO1GABRA5PTGS2
SCHEMBL5777075 0.74 CA2 (0.38) CA2SIRT2IDO1CYP1A2CYP2D6
SCHEMBL5775299 0.70 ADORA2A (0.38) GABRA5PTGS2
SCHEMBL3223595 0.68 AHR (0.38) IDO1GABRA5PTGS2
SCHEMBL5769963 0.68 MEN1 (0.41) IDO1NPSR1

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 CA2 981/4885SIRT2 1426/4885IDO1 1275/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 CA2 988/4885SIRT2 738/4885IDO1 693/4885

“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.