SCHEMBL5774711

SCHEMBL5774711

OCc1cnoc1-c1cc(Cl)cc(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.34
RXRB P28702 4/20 0.34
RXRG P48443 4/20 0.34
NOTUM Q6P988 6/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDO2 P48775 3/20 0.33
PDXK O00764 1/20 0.30
PTPN1 P18031 1/20 0.30
DUSP3 P51452 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
SCHEMBL5776120 0.83 TDO2 (0.49) RXRARXRBRXRGNOTUMTDO2
SCHEMBL5771241 0.83 SIRT2 (0.39) RXRARXRBRXRGMEN1KMT2A
SCHEMBL5774717 0.78 AHR (0.41) RXRARXRBRXRGNOTUMMEN1
SCHEMBL5770454 0.78 RPA1 (0.38) NOTUMTDO2
SCHEMBL5770527 0.78 RXRA (0.53) RXRARXRBRXRG
SCHEMBL5776001 0.76 MEN1 (0.37) MEN1KMT2A
SCHEMBL5776014 0.75 CYP11B1 (0.38) NOTUMMEN1KMT2ATDO2
SCHEMBL5772390 0.74 KMO (0.36) MEN1KMT2A
SCHEMBL5777173 0.74 NOTUM (0.36) NOTUMMEN1KMT2ATDO2PTPN1
SCHEMBL5772173 0.74 TDO2 (0.55) NOTUMMEN1KMT2ATDO2PTPN1

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 RXRA 445/4885RXRB 494/4885RXRG 503/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 RXRA 462/4885RXRB 550/4885RXRG 628/4885

“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.