SCHEMBL5774842

SCHEMBL5774842

OCCCc1cnoc1-c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.44
PDE4B Q07343 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
ADORA1 P30542 3/20 0.39
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 2/20 0.38
NR4A2 P43354 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
NOTUM Q6P988 1/20 0.37
JAK2 O60674 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
HRH1 P35367 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TRPC5 Q9UL62 1/20 0.35

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 0.85 TDO2 (0.49) TDO2RXRARXRBRXRGNR4A2
SCHEMBL5771241 0.85 SIRT2 (0.39) SIRT2RXRARXRBRXRGTLR8
SCHEMBL5774173 0.82 SIRT2 (0.52) TDO2SIRT2NOTUMTLR8
SCHEMBL5776248 0.82 TDO2 (0.45) TDO2SIRT2RXRARXRBRXRG
SCHEMBL5771560 0.82 SIRT2 (0.40) SIRT2RXRARXRBRXRGPTPN2
SCHEMBL5773615 0.81 RXRA (0.56) TDO2RXRARXRBRXRGNR4A2
SCHEMBL5770999 0.81 SIRT2 (0.40) SIRT2
SCHEMBL5773427 0.80 TDO2 (0.42) TDO2SIRT2RXRARXRBRXRG
SCHEMBL5774149 0.80 SIRT2 (0.38) SIRT2MAPTTLR8
SCHEMBL5774745 0.79 CA2 (0.38) TDO2SIRT2NOTUMTRPC5

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 1366/4885PDE4B 3119/4885SIRT2 1426/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 TDO2 1432/4885PDE4B 3765/4885SIRT2 738/4885

“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.