SCHEMBL5773427

SCHEMBL5773427

OCCCc1cnoc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 3/20 0.42
SIRT2 Q8IXJ6 1/20 0.36
NOTUM Q6P988 1/20 0.35
HIF1A Q16665 1/20 0.33
FAAH O00519 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
LTA4H P09960 1/20 0.33
EPHX2 P34913 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PPARA Q07869 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL5776248 0.97 TDO2 (0.45) TDO2SIRT2NOTUMHIF1ACYP11B1
SCHEMBL5774173 0.84 SIRT2 (0.52) TDO2SIRT2NOTUMCYP11B1CYP11B2
SCHEMBL5774918 0.84 CYP19A1 (0.39) SIRT2CYP19A1CYP2C9CYP2C19PPARA
SCHEMBL5774064 0.84 PPARA (0.42) SIRT2CYP11B1CYP11B2CYP19A1CYP2C9
SCHEMBL5777551 0.84 TDO2 (0.42) TDO2SIRT2HIF1ACYP11B1CYP11B2
SCHEMBL5775970 0.83 TDO2 (0.51) TDO2NOTUMPPARAMEN1KMT2A
SCHEMBL5776652 0.81 SIRT2 (0.34) SIRT2CYP19A1CYP2C9CYP2C19PPARA
SCHEMBL5771770 0.81 CYP11B2 (0.41) SIRT2CYP11B1CYP11B2CYP19A1CYP2C9
SCHEMBL5772652 0.81 MEN1 (0.52) SIRT2CYP11B1CYP11B2CYP19A1CYP2C9
SCHEMBL5773617 0.81 TRPV1 (0.44) SIRT2FAAHCYP11B1CYP11B2MEN1

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 TDO2 1366/4885SIRT2 1426/4885NOTUM 617/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 TDO2 1432/4885SIRT2 738/4885NOTUM 1237/4885

“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.