Thiosemicarbazide

Thiosemicarbazide

SCHEMBL4330062

NNC(N)=S.O=C1C=CC(=O)N1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.52
GSK3B P49841 1/20 0.52
CCR6 P51684 1/20 0.52
ALDH1A1 P00352 1/20 0.48
PTGS2 P35354 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
Thiourea SCHEMBL9809709 0.85 GSK3A (0.65) GSK3AGSK3BCCR6
Urea SCHEMBL8556796 0.76 GSK3A (0.69) GSK3AGSK3BCCR6ALDH1A1
Hydroxyamine SCHEMBL27087760 0.76
Carbamic Acid SCHEMBL6022388 0.74 GSK3A (0.65) GSK3AGSK3BCCR6HSD17B10
Maleic Hydrazide SCHEMBL10455079 0.73 GSK3A (0.48) GSK3AGSK3BCCR6ALDH1A1
SCHEMBL9989664 0.73
Hydrazine SCHEMBL3175189 0.73
SCHEMBL28058947 0.73
SCHEMBL33524954 0.72
SCHEMBL1599522 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239790-A1 NOVEL RECOMBINANT PROTEINS WITH N-TERMINAL FREE THIOL POOL CHADLER 2009-09-24 US disclosed
EP-1699920-A4 NOVEL RECOMBINANT PROTEINS WITH N-TERMINAL FREE THIOL CENTOCOR INC (US) 2008-05-28 EP disclosed
CN-1902311-A Novel recombinant proteins with n-terminal free thiol CENTOCOR INC (US) 2007-01-24 CN disclosed
EP-1699920-A2 NOVEL RECOMBINANT PROTEINS WITH N-TERMINAL FREE THIOL CENTOCOR, INC. (US) 2006-09-13 EP disclosed
US-7074755-B2 Erythropoietin conjugate compounds with extended half-lives CENTOCOR, INC. (US) 2006-07-11 US disclosed
US-20060116322-A1 Formation of novel erythropoietin conjugates using transglutaminase CENTOCOR, INC. 2006-06-01 US disclosed
US-6995245-B2 Formation of novel erythropoietin conjugates using transglutaminase CENTOCOR, INC. (US) 2006-02-07 US disclosed
US-20050170457-A1 Novel recombinant proteins with N-terminal free thiol CENTOCOR, INC. 2005-08-04 US disclosed
WO-2005065239-A2 NOVEL RECOMBINANT PROTEINS WITH N-TERMINAL FREE THIOL CENTOCOR, INC. (US) 2005-07-21 WO disclosed
US-20040266690-A1 Formation of novel erythropoietin conjugates using transglutaminase CENTOCOR INC. 2004-12-30 US disclosed
WO-2004106373-A1 ERYTHROPOIETIN CONJUGATE COMPOUNDS WITH EXTENDED HALF-LIVES CENTOCOR, INC. (US) 2004-12-09 WO disclosed
US-20040229318-A1 Erythropoietin conjugate compounds with extended half-lives CENTOCOR, INC. 2004-11-18 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 (2 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-20040266690-A1 Formation of novel erythropoietin conjugates using transglutaminase EPOR, HBG2, TGM3 GSK3A 2658/4885GSK3B 2945/4885CCR6 3036/4885
US-20060116322-A1 Formation of novel erythropoietin conjugates using transglutaminase EPOR, HBG2, TGM3 GSK3A 2658/4885GSK3B 2945/4885CCR6 3036/4885

“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.