SCHEMBL6858676

SCHEMBL6858676

CC(C)(C)OC(=O)c1cc(C(=O)OC(C)(C)C)cc(S(=O)(=O)O)c1.[BaH2]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.50
▸ FYN P06241 1/20 0.50
▸ CA12 O43570 2/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ STAT3 P40763 2/20 0.43
▸ GABRA1 P14867 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ GABRA2 P47869 1/20 0.36
▸ SLC7A5 Q01650 1/20 0.35
▸ SRD5A1 P18405 1/20 0.33
▸ F2 P00734 5/20 0.33
▸ TMPRSS6 Q8IU80 4/20 0.33
▸ ING2 Q9H160 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ ELANE P08246 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
SCHEMBL178361 0.98 LCK (0.52) LCKFYNCA12CA1CA2
SCHEMBL6293232 0.96 LCK (0.50) LCKFYNCA12CA1CA2
SCHEMBL12455058 0.88 CA12 (0.46) LCKFYNCA12CA1CA2
SCHEMBL7459474 0.86 LCK (0.50) LCKFYNCA12CA1CA2
SCHEMBL6856699 0.85 LCK (0.46) LCKFYNCA12CA1CA2
SCHEMBL7058435 0.82 CA12 (0.47) CA12CA1CA2CA9CA14
SCHEMBL6293039 0.81 LCK (0.46) LCKFYNCA12CA1CA2
SCHEMBL21074717 0.81 CA12 (0.39) LCKFYNCA12CA1CA2
SCHEMBL4605517 0.81 CA12 (0.50) LCKFYNCA12CA1CA2
SCHEMBL4605534 0.81 CA12 (0.50) LCKFYNCA12CA1CA2

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 3103/4885CA12 54/4885

“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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