SCHEMBL5774745

SCHEMBL5774745

OCCCc1cnoc1-c1ccc(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NOTUM Q6P988 1/20 0.33
GCGR P47871 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA5 P30532 1/20 0.32
CHRNA4 P43681 1/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
CYP17A1 P05093 1/20 0.32
TRPV3 Q8NET8 1/20 0.32
PPARA Q07869 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
TDO2 P48775 1/20 0.30
MAPK14 Q16539 1/20 0.30
TRPC5 Q9UL62 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
SCHEMBL5777075 0.88 CA2 (0.38) CA2SIRT2MEN1KMT2APPARA
SCHEMBL5773727 0.88 SIRT2 (0.37) CA2SIRT2MEN1KMT2ACYP11B1
SCHEMBL5770999 0.88 SIRT2 (0.40) CA2SIRT2CYP11B1CYP11B2TRPV3
SCHEMBL5776014 0.85 CYP11B1 (0.38) CA2MEN1KMT2ANOTUMGCGR
SCHEMBL5777551 0.84 TDO2 (0.42) CA2SIRT2MEN1KMT2ACYP11B1
SCHEMBL5774064 0.81 PPARA (0.42) SIRT2MEN1KMT2ACYP11B1CYP11B2
SCHEMBL5774173 0.81 SIRT2 (0.52) SIRT2NOTUMCYP11B1CYP11B2TDO2
SCHEMBL5774825 0.81 FFAR1 (0.42) PPARA
SCHEMBL5771560 0.80 SIRT2 (0.40) SIRT2MEN1KMT2ANOTUM
SCHEMBL5774842 0.79 TDO2 (0.44) SIRT2NOTUMTDO2TRPC5

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US claimed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US claimed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP claimed
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 1426/4885MEN1 2811/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 CA2 988/4885SIRT2 738/4885MEN1 2072/4885

“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.