SCHEMBL576998

SCHEMBL576998

O=C(OCN1C(=O)c2ccccc2C1=O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A11 Q9UPY5 3/20 0.65
MEN1 O00255 1/20 0.65
ABCC3 O15438 1/20 0.65
ABCC4 O15439 1/20 0.65
USP2 O75604 1/20 0.65
SLCO2B1 O94956 1/20 0.65
ALDH1A1 P00352 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
LMNA P02545 1/20 0.65
MMP1 P03956 1/20 0.65
ABCB1 P08183 1/20 0.65
MAPT P10636 1/20 0.65
CYP2C9 P11712 1/20 0.65
HPGD P15428 1/20 0.65
TSHR P16473 1/20 0.65
NFKB1 P19838 1/20 0.65
TBXAS1 P24557 1/20 0.65
MAPK1 P28482 1/20 0.65
CASP1 P29466 1/20 0.65

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
SCHEMBL2689400 0.92 SLC7A11 (0.63) SLC7A11MEN1ABCC3ABCC4USP2
SCHEMBL5536254 0.86 SLC7A11 (0.58) SLC7A11MEN1ABCC3ABCC4USP2
SCHEMBL5540866 0.86 SLC7A11 (0.59) SLC7A11MEN1ABCC3ABCC4USP2
SCHEMBL5534853 0.86 SLC7A11 (0.59) SLC7A11MEN1ABCC3ABCC4USP2
SCHEMBL2688875 0.84 SLC7A11 (0.58) SLC7A11MEN1ABCC3ABCC4USP2
SCHEMBL5539370 0.83 SLC7A11 (0.71) SLC7A11MEN1ABCC3ABCC4USP2
SCHEMBL22192825 0.82 SLC7A11 (0.68) SLC7A11MEN1ABCC3ABCC4USP2
SCHEMBL22169075 0.82 SLC7A11 (0.68) SLC7A11MEN1ABCC3ABCC4USP2
SCHEMBL5542264 0.81 KMT2A (0.60) MEN1ALDH1A1HPGDTSHRBLVRB
SCHEMBL22169057 0.81 SLC7A11 (0.67) SLC7A11MEN1ABCC3ABCC4USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115817-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF-ALPHA MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES EMS S.A. (BR) 2012-05-10 US disclosed
US-20120115817-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF-ALPHA MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES EMS S.A. (BR) 2012-05-10 US disclosed
EP-2418200-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF- MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES EMS S. A. (BR) 2012-02-15 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 (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-20120115817-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF-ALPHA MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES TNF, PER2, CRY1 SLC7A11 4779/4885MEN1 3050/4885ABCC3 3190/4885

“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.