SCHEMBL5777075

SCHEMBL5777075

OCCCc1cnoc1-c1ccc(F)c(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.35
IDO1 P14902 3/20 0.32
PPARA Q07869 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
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
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 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
SCHEMBL5774745 0.88 CA2 (0.38) CA2SIRT2PPARAMEN1KMT2A
SCHEMBL5773175 0.86 MEN1 (0.34) PPARAMEN1KMT2ACYP1A2CYP2D6
SCHEMBL5774537 0.84 SIRT2 (0.37) CA2SIRT2PPARAMEN1KMT2A
SCHEMBL5770999 0.84 SIRT2 (0.40) CA2SIRT2
SCHEMBL5775401 0.82 FFAR1 (0.40) PPARA
SCHEMBL5773727 0.82 SIRT2 (0.37) CA2SIRT2MEN1KMT2ACYP1A2
SCHEMBL5774064 0.80 PPARA (0.42) SIRT2PPARAMEN1KMT2ACYP2C9
SCHEMBL5777551 0.80 TDO2 (0.42) CA2SIRT2MEN1KMT2ACYP2C9
SCHEMBL5775587 0.78 CCNC (0.41) IDO1PPARAMEN1KMT2ANPSR1
SCHEMBL5774173 0.77 SIRT2 (0.52) SIRT2CYP2C9CYP2C19NPSR1

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.