SCHEMBL4363083

SCHEMBL4363083

C[n+]1ccn(CCCCS(=O)(=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
MEN1 O00255 2/20 0.56
HSP90AA1 P07900 2/20 0.56
KMT2A Q03164 2/20 0.56
APAF1 O14727 1/20 0.56
NPC1 O15118 1/20 0.56
PLA2G1B P04054 1/20 0.56
MAPT P10636 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ATG4B Q9Y4P1 1/20 0.56
FDPS P14324 14/20 0.38
LMNA P02545 1/20 0.33
BBOX1 O75936 1/20 0.32

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
SCHEMBL4370510 0.95 SMN1; SMN2 (0.53) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
SCHEMBL4266271 0.93 MEN1 (0.69) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
SCHEMBL4023088 0.90 MEN1 (0.65) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
SCHEMBL28478541 0.90 MEN1 (0.65) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
SCHEMBL2357881 0.89 MEN1 (0.59) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
SCHEMBL1111609 0.86 MEN1 (0.52) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
SCHEMBL1992343 0.86 MEN1 (0.52) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
Sulfuric Acid SCHEMBL12544525 0.86 SMN1; SMN2 (0.51) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
SCHEMBL7742082 0.86 MEN1 (0.59) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
SCHEMBL34897 0.84 SMN1; SMN2 (0.50) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1

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-20090118558-A1 Dehydration Process BP P.L.C. (GB) 2009-05-07 US claimed
EP-1907341-A1 DEHYDRATION PROCESS BP p.l.c. (GB) 2008-04-09 EP claimed
WO-2007012825-A1 DEHYDRATION PROCESS BP P.L.C. (GB) 2007-02-01 WO claimed

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-20090118558-A1 Dehydration Process ADH1A, ADH1C, ADH5 SMN1; SMN2 4195/4885MEN1 4383/4885HSP90AA1 343/4885

“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.