SCHEMBL5771280

SCHEMBL5771280

CS(=O)(=O)c1ccc(-c2oncc2CCCO)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.39
CA2 P00918 1/20 0.39
ESR2 Q92731 4/20 0.36
MAP4K4 O95819 2/20 0.36
MINK1 Q8N4C8 2/20 0.36
TNIK Q9UKE5 2/20 0.36
PTGS1 P23219 1/20 0.36
FYN P06241 1/20 0.35

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
SCHEMBL5774918 0.81 CYP19A1 (0.39)
SCHEMBL5774173 0.79 SIRT2 (0.52)
SCHEMBL5773427 0.79 TDO2 (0.42)
SCHEMBL5777551 0.79 TDO2 (0.42) CA2MAP4K4
SCHEMBL5774064 0.79 PPARA (0.42)
SCHEMBL5772675 0.78 TSHR (0.43)
SCHEMBL5776907 0.78 SIRT2 (0.33)
SCHEMBL5776248 0.78 TDO2 (0.45)
SCHEMBL5772652 0.78 MEN1 (0.52) PTGS2
SCHEMBL5776652 0.78 SIRT2 (0.34) PTGS2

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 PTGS2 2873/4885CA2 981/4885ESR2 1453/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 PTGS2 2585/4885CA2 988/4885ESR2 1264/4885

“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.