SCHEMBL5776907

SCHEMBL5776907

C[S+]([O-])c1ccc(-c2oncc2CCCO)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARA Q07869 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
SCHEMBL5774918 0.81 CYP19A1 (0.39) SIRT2CYP19A1CYP2C9CYP2C19MEN1
SCHEMBL5777551 0.79 TDO2 (0.42) SIRT2CYP19A1CYP2C9CYP2C19MEN1
SCHEMBL5774173 0.79 SIRT2 (0.52) SIRT2CYP19A1CYP2C9CYP2C19
SCHEMBL5774064 0.79 PPARA (0.42) SIRT2CYP19A1CYP2C9CYP2C19MEN1
SCHEMBL5773427 0.79 TDO2 (0.42) SIRT2CYP19A1CYP2C9CYP2C19MEN1
SCHEMBL5771280 0.78 PTGS2 (0.39)
SCHEMBL5776248 0.78 TDO2 (0.45) SIRT2
SCHEMBL5772652 0.78 MEN1 (0.52) SIRT2CYP19A1CYP2C9CYP2C19MEN1
SCHEMBL5776652 0.78 SIRT2 (0.34) SIRT2CYP19A1CYP2C9CYP2C19MEN1
SCHEMBL5772675 0.76 TSHR (0.43) SIRT2CYP2C19MEN1KMT2A

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 1426/4885CYP19A1 117/4885CYP2C9 30/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 SIRT2 738/4885CYP19A1 62/4885CYP2C9 45/4885

“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.