Sugi Predict

Sugi Predict / Compounds / SCHEMBL3591832

SCHEMBL3591832

SCHEMBL3591832

Cc1ccc(S(=O)(=O)n2cc(F)cc2-c2coc(C3CCCN(C(=O)OCc4ccccc4)C3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL9 O00512 2/20 0.42
▸ CTNNB1 P35222 2/20 0.42
▸ MMP1 P03956 2/20 0.38
▸ MMP3 P08254 2/20 0.38
▸ MMP7 P09237 2/20 0.38
▸ MMP9 P14780 2/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ JAK2 O60674 2/20 0.38
▸ JAK1 P23458 2/20 0.38
▸ TYK2 P29597 2/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TRPC3 Q13507 1/20 0.38
▸ TRPC7 Q9HCX4 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL3591829 1.00 BCL9 (0.42) BCL9CTNNB1MMP1MMP3MMP7
SCHEMBL3586168 0.83 GRM5 (0.47) ALDH1A1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL3577198 0.78 CYP1A2 (0.48) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL3577202 0.78 CYP1A2 (0.48) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL3587608 0.76 JAK2 (0.46) BCL9CTNNB1JAK2JAK1TYK2
SCHEMBL3587612 0.76 JAK2 (0.46) BCL9CTNNB1JAK2JAK1TYK2
SCHEMBL20028884 0.75 JAK2 (0.47) BCL9CTNNB1JAK2JAK1TYK2
SCHEMBL20028877 0.71 JAK2 (0.43) BCL9CTNNB1JAK2JAK1TYK2
SCHEMBL29679550 0.71 JAK2 (0.43) BCL9CTNNB1JAK2JAK1TYK2
SCHEMBL27760147 0.69 GRM5 (0.42) ALDH1A1SMN1; SMN2NPSR1MEN1KMT2A

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
EP-2089386-B1 OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2012-08-08 — — EP disclosed
US-20100081690-A1 OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-04-01 — — US disclosed
EP-2089386-A2 OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2009-08-19 — — EP disclosed
WO-2008056259-A2 OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2008-05-15 — — WO 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-20100081690-A1 OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 BCL9 3220/4885CTNNB1 4292/4885MMP1 4869/4885

“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.