SCHEMBL5777551

SCHEMBL5777551

OCCCc1cnoc1-c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.42
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MAPK14 Q16539 4/20 0.37
SIRT2 Q8IXJ6 2/20 0.36
NPC1 O15118 2/20 0.34
HTT P42858 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CA2 P00918 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HDAC8 Q9BY41 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
MAP4K4 O95819 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
SCHEMBL5773427 0.84 TDO2 (0.42) TDO2CYP11B1CYP11B2SIRT2CYP19A1
SCHEMBL5774918 0.84 CYP19A1 (0.39) SIRT2NPC1RAB9ACYP19A1CYP2C9
SCHEMBL5774173 0.84 SIRT2 (0.52) TDO2CYP11B1CYP11B2SIRT2NPC1
SCHEMBL5774064 0.84 PPARA (0.42) CYP11B1CYP11B2SIRT2NPC1RAB9A
SCHEMBL5776248 0.84 TDO2 (0.45) TDO2CYP11B1CYP11B2SIRT2HIF1A
SCHEMBL5773617 0.84 TRPV1 (0.44) CYP11B1CYP11B2SIRT2HDAC8MEN1
SCHEMBL5774745 0.84 CA2 (0.38) TDO2CYP11B1CYP11B2MAPK14SIRT2
SCHEMBL5774121 0.83 TDO2 (0.47) TDO2MAPK14SIRT2NPC1HTT
SCHEMBL5776652 0.81 SIRT2 (0.34) MAPK14SIRT2CYP19A1CYP2C9CYP2C19
SCHEMBL5772652 0.81 MEN1 (0.52) CYP11B1CYP11B2SIRT2NPC1RAB9A

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 1366/4885CYP11B1 10/4885CYP11B2 13/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 TDO2 1432/4885CYP11B1 9/4885CYP11B2 16/4885

“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.