SCHEMBL5774064

SCHEMBL5774064

OCCCc1cnoc1-c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.42
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
SIRT2 Q8IXJ6 4/20 0.37
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31
HDAC3 O15379 2/20 0.31

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
SCHEMBL5774173 0.84 SIRT2 (0.52) CYP11B1CYP11B2SIRT2CYP19A1CYP2C9
SCHEMBL5773427 0.84 TDO2 (0.42) PPARACYP11B1CYP11B2SIRT2CYP19A1
SCHEMBL5774918 0.84 CYP19A1 (0.39) PPARASIRT2CYP19A1CYP2C9CYP2C19
SCHEMBL5777551 0.84 TDO2 (0.42) CYP11B1CYP11B2SIRT2CYP19A1CYP2C9
SCHEMBL5776248 0.84 TDO2 (0.45) CYP11B1CYP11B2SIRT2PTPN1
SCHEMBL5775491 0.83 PPARA (0.45) PPARASIRT2CYP19A1CYP2C9CYP2C19
SCHEMBL5772652 0.81 MEN1 (0.52) CYP11B1CYP11B2SIRT2CYP19A1CYP2C9
SCHEMBL5776652 0.81 SIRT2 (0.34) PPARASIRT2CYP19A1CYP2C9CYP2C19
SCHEMBL5774745 0.81 CA2 (0.38) PPARACYP11B1CYP11B2SIRT2MEN1
SCHEMBL5771770 0.81 CYP11B2 (0.41) CYP11B1CYP11B2SIRT2CYP19A1CYP2C9

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 PPARA 602/4885CYP11B1 10/4885CYP11B2 13/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 PPARA 247/4885CYP11B1 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.