SCHEMBL4852830

SCHEMBL4852830

O=C1NC(=O)C(=Cc2ccc([N+](=O)[O-])c(O)c2)S1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.81
IGF1R P08069 2/20 0.62
CISD1 Q9NZ45 1/20 0.59
TDP2 O95551 1/20 0.58
CASP7 P55210 1/20 0.58
CASP9 P55211 1/20 0.58
CASP6 P55212 1/20 0.58
CASP8 Q14790 1/20 0.58
AKR1B1 P15121 2/20 0.57
HPGD P15428 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
RAB9A P51151 1/20 0.57
PIM1 P11309 2/20 0.55
PIM3 Q86V86 2/20 0.55
PIM2 Q9P1W9 2/20 0.55
CDC7 O00311 1/20 0.55
DAPK3 O43293 1/20 0.55
DYRK3 O43781 1/20 0.55
MAP4K4 O95819 1/20 0.55
PHKG2 P15735 1/20 0.55

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
SCHEMBL4852825 1.00 GSK3B (0.81) GSK3BIGF1RCISD1TDP2CASP7
SCHEMBL9831864 0.89 GSK3B (1.00) GSK3BIGF1RCISD1TDP2CASP7
SCHEMBL9831869 0.89 GSK3B (1.00) GSK3BIGF1RCISD1TDP2CASP7
SCHEMBL8308229 0.88 GSK3B (0.82) GSK3BCISD1RAB9APIM1PIM3
SCHEMBL6413936 0.88 XDH (0.70) GSK3BIGF1RCISD1CLK2GSK3A
SCHEMBL6413941 0.88 XDH (0.70) GSK3BIGF1RCISD1CLK2GSK3A
SCHEMBL8308231 0.88 GSK3B (0.82) GSK3BCISD1RAB9APIM1PIM3
SCHEMBL8049587 0.85 GSK3B (0.74) GSK3BIGF1RCISD1TDP2CASP7
SCHEMBL8049588 0.85 GSK3B (0.74) GSK3BIGF1RCISD1TDP2CASP7
SCHEMBL2882560 0.84 GSK3B (0.68) GSK3BIGF1RCISD1TDP2CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050234020-A1 Thrombopoietin mimetics SMITHKLINE BEECHAM CORP. 2005-10-20 US claimed
EP-1556059-A1 THROMBOPOIETIN MIMETICS Smithkline Beecham (US) 2005-07-27 EP claimed
WO-2003103686-A1 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-18 WO claimed
US-7414040-B2 Thrombopoietin mimetics SMITHKLINE BEECHAM CORPORATION (US) 2008-08-19 US disclosed
US-20050234020-A1 Thrombopoietin mimetics SMITHKLINE BEECHAM CORP. 2005-10-20 US disclosed
EP-1556059-A1 THROMBOPOIETIN MIMETICS Smithkline Beecham (US) 2005-07-27 EP disclosed
WO-2003103686-A1 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-18 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-20050234020-A1 Thrombopoietin mimetics MPL, THPO, TEK GSK3B 3054/4885IGF1R 269/4885CISD1 2474/4885

“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.