Butane

Butane

SCHEMBL6855826

CCCC.O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)O)c1.[Ba+2]

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.52
FYN P06241 1/20 0.52
S1PR3 Q99500 1/20 0.36
TIMP3 P35625 2/20 0.35
CA2 P00918 3/20 0.33
CA12 O43570 3/20 0.33
CA9 Q16790 3/20 0.33
CA1 P00915 3/20 0.33
LMNA P02545 2/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
ABCC2 Q92887 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
UGT1A7 Q9HAW7 1/20 0.33
SLC22A11 Q9NSA0 1/20 0.33
ING2 Q9H160 1/20 0.33
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 1/20 0.33

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
Butane SCHEMBL6296727 0.96 LCK (0.52) LCKFYNS1PR3TIMP3CA2
Butane SCHEMBL18192040 0.96 LCK (0.52) LCKFYNS1PR3TIMP3CA2
SCHEMBL6850489 0.90 LCK (0.61) LCKFYNTIMP3CA2CA1
SCHEMBL18192037 0.86 LCK (0.61) LCKFYNTIMP3CA2CA1
Zinc Ion SCHEMBL15387742 0.86 LCK (0.61) LCKFYNTIMP3CA2CA1
Potassium Ion SCHEMBL472665 0.86 LCK (0.61) LCKFYNTIMP3CA2CA1
SCHEMBL6292956 0.86 LCK (0.61) LCKFYNTIMP3CA2CA1
SCHEMBL258409 0.86 LCK (0.61) LCKFYNTIMP3CA2CA1
Lithium Ion SCHEMBL433795 0.86 LCK (0.61) LCKFYNTIMP3CA2CA1
SCHEMBL28638698 0.86 LCK (0.48) LCKFYNS1PR3TIMP3CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6830859-B2 Electrostatic latent images; containing barium salt of sulfoisophthalic acid RICOH COMPANY, LTD. (JP) 2004-12-14 US disclosed
US-20030077534-A1 Charge control agent and toner using same RICOH COMPANY, LTD. (JP) 2003-04-24 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-20030077534-A1 Charge control agent and toner using same BET1, SMARCA5, SMARCA1 LCK 3088/4885FYN 3103/4885S1PR3 1753/4885

“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.