SCHEMBL10001214

SCHEMBL10001214

CCCN(CCC)S(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 17/20 0.69
▸ CA12 O43570 16/20 0.69
▸ CA2 P00918 5/20 0.69
▸ RAB9A P51151 1/20 0.69
▸ SMN1; SMN2 Q16637 1/20 0.69
▸ SLC22A6 Q4U2R8 1/20 0.69
▸ SLC22A8 Q8TCC7 1/20 0.69
▸ ABCC2 Q92887 1/20 0.69
▸ SLC22A12 Q96S37 1/20 0.69
▸ UGT1A7 Q9HAW7 1/20 0.69
▸ SLC22A11 Q9NSA0 1/20 0.69
▸ CA1 P00915 10/20 0.64
▸ ALDH1A1 P00352 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ ABCC9 O60706 1/20 0.53
▸ ABCC8 Q09428 1/20 0.53
▸ KCNJ11 Q14654 1/20 0.53
▸ KCNJ8 Q15842 1/20 0.53

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
SCHEMBL13543237 0.87 HTT (0.66) CA9CA12CA2RAB9ASMN1; SMN2
Probenecid SCHEMBL1034640 0.82 CA9 (1.00) CA9CA12CA2RAB9ASMN1; SMN2
SCHEMBL13651238 0.82 CA9 (0.76) CA9CA12CA2RAB9ASMN1; SMN2
SCHEMBL26599943 0.82 CA9 (0.76) CA9CA12CA2RAB9ASMN1; SMN2
Probenecid SCHEMBL3663 0.82 CA9 (1.00) CA9CA12CA2RAB9ASMN1; SMN2
Probenecid SCHEMBL23391020 0.81 CA9 (0.97) CA9CA12CA2RAB9ASMN1; SMN2
Probenecid SCHEMBL20636804 0.81 CA9 (0.97) CA9CA12CA2RAB9ASMN1; SMN2
Probenecid SCHEMBL20636781 0.81 CA9 (0.97) CA9CA12CA2RAB9ASMN1; SMN2
Probenecid SCHEMBL23630240 0.81 CA9 (0.97) CA9CA12CA2RAB9ASMN1; SMN2
Probenecid SCHEMBL22325443 0.81 CA9 (0.97) CA9CA12CA2RAB9ASMN1; SMN2

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-8093427-B2 Construction and screening of solution-phase derived library of fenbufen and ethacrynic acid NATIONAL TSING HUA UNIVERSITY (TW) 2012-01-10 — — US disclosed
US-8093427-B2 Construction and screening of solution-phase derived library of fenbufen and ethacrynic acid NATIONAL TSING HUA UNIVERSITY (TW) 2012-01-10 — — US disclosed
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-15 — — 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-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID CYP4F2, ACR, CYP4F3 CA9 2665/4885CA12 3121/4885CA2 2549/4885

“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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