SCHEMBL6704819

SCHEMBL6704819

CCC(C)(C)c1cc(-c2cccc(C=C3SC(=S)NC3=O)c2)cc([N+](=O)[O-])c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.53
▸ CRHBP P24387 1/20 0.52
▸ CRHR2 Q13324 1/20 0.52
▸ NAT1 P18440 3/20 0.48
▸ PTGS2 P35354 1/20 0.47
▸ IDH1 O75874 1/20 0.46
▸ CISD1 Q9NZ45 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ MGAM O43451 1/20 0.44
▸ SI P14410 1/20 0.44
▸ MGAM2 Q2M2H8 1/20 0.44
▸ ADAMTS5 Q9UNA0 1/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ PIM3 Q86V86 1/20 0.43
▸ DYRK2 Q92630 1/20 0.43
▸ PIM2 Q9P1W9 1/20 0.43
▸ MYC P01106 1/20 0.42
▸ MAX P61244 1/20 0.42
▸ MEN1 O00255 1/20 0.42

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
SCHEMBL6704827 1.00 GSK3B (0.53) GSK3BCRHBPCRHR2NAT1PTGS2
SCHEMBL6618412 0.79 ERN1 (0.47) CRHBPCRHR2
SCHEMBL6451356 0.77 GSK3B (0.49) GSK3BNAT1PTGS2GAAMGAM
SCHEMBL6451359 0.77 GSK3B (0.49) GSK3BNAT1PTGS2GAAMGAM
SCHEMBL6704722 0.74 CA2 (0.43) CRHBPCRHR2CISD1ALDH1A1
SCHEMBL18103005 0.72 NAT1 (0.85) CRHBPCRHR2NAT1CISD1ADAMTS5
SCHEMBL18103002 0.71 NAT1 (0.74) CRHBPCRHR2NAT1CISD1ADAMTS5
SCHEMBL18102890 0.71 NAT1 (0.76) GSK3BCRHBPCRHR2NAT1CISD1
SCHEMBL19991267 0.71 NAT1 (0.76) GSK3BCRHBPCRHR2NAT1CISD1
SCHEMBL18102962 0.71 NAT1 (0.76) GSK3BCRHBPCRHR2NAT1CISD1

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-20040097566-A1 2-Substituted thiazolidinone and oxazolidinone derivatives for the inhibition of phosphatases and the treatment of cancer INCYTE SAN DIEGO INCORPORATED 2004-05-20 — — 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-20040097566-A1 2-Substituted thiazolidinone and oxazolidinone derivatives for the inhibition of phosphatases and the treatment of cancer PTPA, PTPRC, PTPRCAP GSK3B 148/4885CRHBP 3440/4885CRHR2 3000/4885

“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.

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