SCHEMBL3343777

SCHEMBL3343777

CCOC(=O)c1coc(Nc2ccc(F)cc2F)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.53
TTK P33981 1/20 0.52
THRB P10828 1/20 0.50
MAPK14 Q16539 1/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
TSHR P16473 2/20 0.42
RAB9A P51151 3/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ALPL P05186 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AURKA O14965 1/20 0.41

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
SCHEMBL3344425 0.87 NLRP3 (0.56) NLRP3TTKTHRBMAPTLMNA
SCHEMBL3350261 0.82 CSNK2A1 (0.42) MAPTLMNAKDM4ERAB9AGAA
SCHEMBL23581766 0.82 NLRP3 (0.56) NLRP3TTKMAPTLMNAKDM4E
SCHEMBL13304907 0.80 TTK (0.68) NLRP3TTKTHRBLMNAKDM4E
SCHEMBL31436857 0.77 NLRP3 (0.55) NLRP3TTKMAPTLMNAKDM4E
SCHEMBL21708015 0.77 MAPT (0.67) THRBMAPTLMNAKDM4ENPSR1
SCHEMBL23581727 0.76 NLRP3 (0.63) NLRP3TTKKDM4ECYP1A2
SCHEMBL553902 0.75 NLRP3 (0.56) NLRP3TTKMAPTLMNAKDM4E
SCHEMBL3045442 0.73 NLRP3 (0.56) NLRP3TTKTHRBMAPTRAB9A
SCHEMBL10550202 0.73 THRB (0.53) THRBMAPK14MAPTLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160397-A1 OXAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY ASTRAZENECA AB (SE) 2010-06-24 US 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 (1 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-20100160397-A1 OXAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY DGAT1, ACAT1, DGAT2 NLRP3 2346/4885TTK 1998/4885THRB 1475/4885

“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.