SCHEMBL5771839

SCHEMBL5771839

OCCCc1conc1-c1ccc(F)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.40
GABRA5 P31644 4/20 0.38
TGFBR1 P36897 4/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
TRPV3 Q8NET8 1/20 0.35
RPA1 P27694 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
KMO O15229 2/20 0.33
NISCH Q9Y2I1 1/20 0.33
KCNH2 Q12809 1/20 0.33
IDO1 P14902 1/20 0.33
CASP1 P29466 1/20 0.33
CA2 P00918 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL5776636 0.90 SIRT2 (0.37) SIRT2GABRA5FFAR4KMOCA2
SCHEMBL5777368 0.88 SIRT2 (0.40) SIRT2GABRA5FFAR4KMOIDO1
SCHEMBL5775299 0.86 ADORA2A (0.38) GABRA5ADORA2AADORA1TRPV3RPA1
SCHEMBL5776250 0.84 CA2 (0.35) SIRT2GABRA5IDO1CA2
SCHEMBL5777241 0.82 FFAR4 (0.51) RPA1FFAR4KMO
SCHEMBL3223595 0.79 AHR (0.38) GABRA5FFAR4KMOIDO1
SCHEMBL5773773 0.78 FFAR4 (0.43) GABRA5RPA1FFAR4
SCHEMBL5774132 0.75 KMO (0.36) GABRA5KMOPDE4APDE4BPDE4C
SCHEMBL5770999 0.74 SIRT2 (0.40) SIRT2TGFBR1TRPV3RPA1FFAR4
SCHEMBL5776936 0.73 AHR (0.41) GABRA5KMOIDO1

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 707/4885TGFBR1 2322/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 SIRT2 738/4885GABRA5 991/4885TGFBR1 2223/4885

“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.