SCHEMBL5776428

SCHEMBL5776428

OCCCc1cnoc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.39
ALPL P05186 4/20 0.38
TLR8 Q9NR97 5/20 0.36
CYP1A2 P05177 3/20 0.34
NPC1 O15118 2/20 0.34
CYP2C19 P33261 2/20 0.34
RAB9A P51151 2/20 0.34
ALPG P10696 1/20 0.34
CRHR1 P34998 1/20 0.34
CYP2C9 P11712 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
MARS1 P56192 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
SCHEMBL5773966 0.89 SIRT2 (0.39) SIRT2TLR8RAB9A
SCHEMBL5775506 0.85 AHR (0.36) CYP1A2NPC1CYP2C19RAB9ACYP2C9
SCHEMBL5774165 0.83 ATM (0.39) SIRT2TLR8NPC1RAB9AL3MBTL1
SCHEMBL5774926 0.81 TP53 (0.44) ALPLSMN1; SMN2
SCHEMBL5774173 0.80 SIRT2 (0.52) SIRT2TLR8NPC1CYP2C19RAB9A
SCHEMBL5774842 0.78 TDO2 (0.44) SIRT2TLR8CYP1A2
SCHEMBL5773924 0.77 MAPT (0.44) ALPLCYP1A2CYP2C19CYP3A4
SCHEMBL5771241 0.77 SIRT2 (0.39) SIRT2TLR8
SCHEMBL5771560 0.76 SIRT2 (0.40) SIRT2TLR8NPC1RAB9A
SCHEMBL5770999 0.76 SIRT2 (0.40) SIRT2

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 SIRT2 1426/4885ALPL 802/4885TLR8 2618/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 SIRT2 738/4885ALPL 601/4885TLR8 3077/4885

“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.