SCHEMBL14219017

SCHEMBL14219017

CCNCCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.47
▸ CA12 O43570 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA1 P00915 2/20 0.44
▸ STAT3 P40763 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ CA2 P00918 2/20 0.41
▸ GAA P10253 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GBA1 P04062 1/20 0.38
▸ PSMD10 O75832 1/20 0.38
▸ MMP1 P03956 1/20 0.38

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
SCHEMBL9550978 0.91 ALDH1A1 (0.50) ALDH1A1CA12CA9CA1STAT3
SCHEMBL28629399 0.84 ALDH1A1 (0.44) ALDH1A1CA12CA9CA1STAT3
SCHEMBL9169477 0.84 ALDH1A1 (0.44) ALDH1A1CA12CA9CA1STAT3
SCHEMBL12418418 0.83 ALDH1A1 (0.49) ALDH1A1CA12CA9CA1STAT3
SCHEMBL23296190 0.82 ALDH1A1 (0.57) ALDH1A1CA12CA9CA1STAT3
SCHEMBL16771628 0.82 ALDH1A1 (0.45) ALDH1A1CA12CA9CA1STAT3
SCHEMBL241884 0.82 CA1 (0.52) ALDH1A1CA12CA9CA1STAT3
SCHEMBL156710 0.80 GAA (0.46) ALDH1A1CA12CA9CA1STAT3
SCHEMBL21408106 0.80 CA12 (0.54) ALDH1A1CA12CA9CA1CA2
SCHEMBL3969240 0.80 ALDH1A1 (0.73) ALDH1A1CA12CA9HPGDLMNA

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-20080114059-A1 Novel Compounds For Treatment of Cardiac Arrhythmia and Methods of Use ARYX THERAPEUTICS, INC. 2008-05-15 — — US disclosed
US-7351842-B2 )-{3-[4-(2-Ethylamino-ethoxy)-3,5-diiodo-benzoyl]-benzofuran-2-yl}-acetic acid sec-butyl ester; amiodarone derivatives; congestive heart failure, ischemic cardiomyopathy, atrial fibrillation, ventricular tachycardia; side effect reduction: pharmacolkinetics, oral bioavailability, nontoxic ARYX THERAPEUTICS, INC. (US) 2008-04-01 — — 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-20080114059-A1 Novel Compounds For Treatment of Cardiac Arrhythmia and Methods of Use TNNI3, TNNT2, RYR2 ALDH1A1 1286/4885CA12 2997/4885CA9 3856/4885

“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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