SCHEMBL5771560

SCHEMBL5771560

OCCCc1cnoc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.40
AHR P35869 2/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
HRH1 P35367 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TLR8 Q9NR97 1/20 0.34
PTGS1 P23219 1/20 0.34
EPHX2 P34913 1/20 0.34
PTGS2 P35354 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
NOTUM Q6P988 3/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL5774149 0.89 SIRT2 (0.38) SIRT2TLR8PTGS1PTGS2POLB
SCHEMBL5770999 0.88 SIRT2 (0.40) SIRT2PTGS1PTGS2
SCHEMBL5774537 0.88 SIRT2 (0.37) SIRT2NOTUMMEN1KMT2A
SCHEMBL5773727 0.88 SIRT2 (0.37) SIRT2MEN1KMT2A
SCHEMBL5774717 0.85 AHR (0.41) AHRPTPN2PTPN1RXRARXRB
SCHEMBL5774173 0.84 SIRT2 (0.52) SIRT2NPC1RAB9ATLR8LMNA
SCHEMBL5774842 0.82 TDO2 (0.44) SIRT2PTPN2PTPN1RXRARXRB
SCHEMBL5771241 0.81 SIRT2 (0.39) SIRT2RXRARXRBRXRGTLR8
SCHEMBL5773868 0.81 RXRA (0.53) PTPN2PTPN1RXRARXRBRXRG
SCHEMBL5774745 0.80 CA2 (0.38) SIRT2NOTUMMEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US claimed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US claimed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP claimed
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 1426/4885AHR 377/4885PTPN2 3228/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 SIRT2 738/4885AHR 225/4885PTPN2 2553/4885

“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.