SCHEMBL20346316

SCHEMBL20346316

O=C(CS(=O)(=O)c1ccccc1)N1CCCC1

nearest known ligand 0.97

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.97
▸ POLB P06746 3/20 0.97
▸ ALDH1A1 P00352 5/20 0.69
▸ HSD17B10 Q99714 1/20 0.69
▸ HTT P42858 1/20 0.67
▸ RAB9A P51151 3/20 0.56
▸ NPC1 O15118 3/20 0.56
▸ GAA P10253 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ HSD11B1 P28845 2/20 0.50

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
SCHEMBL12425968 0.98 SMN1; SMN2 (1.00) SMN1; SMN2POLBALDH1A1HSD17B10HTT
SCHEMBL29986910 0.81 SMN1; SMN2 (0.67) SMN1; SMN2POLBALDH1A1HSD17B10HTT
SCHEMBL24815673 0.81 SMN1; SMN2 (0.67) SMN1; SMN2POLBALDH1A1HSD17B10HTT
SCHEMBL12385780 0.81 SMN1; SMN2 (0.66) SMN1; SMN2POLBALDH1A1HSD17B10GAA
SCHEMBL19277488 0.81 POLB (0.65) SMN1; SMN2POLBALDH1A1HSD17B10HTT
SCHEMBL12384423 0.78 SMN1; SMN2 (0.61) SMN1; SMN2POLBALDH1A1HSD17B10HTT
SCHEMBL19277458 0.77 POLB (0.61) SMN1; SMN2POLBALDH1A1HSD17B10HTT
SCHEMBL6032510 0.77 SMN1; SMN2 (0.60) SMN1; SMN2POLBALDH1A1HSD17B10HTT
SCHEMBL1493731 0.77 POLB (0.60) SMN1; SMN2POLBALDH1A1HTTRAB9A
SCHEMBL1463428 0.75 SMN1; SMN2 (0.58) SMN1; SMN2POLBALDH1A1HSD17B10HTT

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-10364208-B2 Oxidative coupling of aryl boron reagents with SP3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2019-07-30 — — US disclosed
US-20180186721-A1 OXIDATIVE COUPLING OF ARYL BORON REAGENTS WITH SP3-CARBON NUCLEOPHILES, AND AMBIENT DECARBOXYLATIVE ARYLATION OF MALONATE HALF-ESTERS VIA OXIDATIVE CATALYSIS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2018-07-05 — — US disclosed
US-20180186721-A1 OXIDATIVE COUPLING OF ARYL BORON REAGENTS WITH SP3-CARBON NUCLEOPHILES, AND AMBIENT DECARBOXYLATIVE ARYLATION OF MALONATE HALF-ESTERS VIA OXIDATIVE CATALYSIS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2018-07-05 — — 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 (2 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-10364208-B2 Oxidative coupling of aryl boron reagents with SP3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis SOD1, AOC3, CBR3 SMN1; SMN2 1011/4885POLB 176/4885ALDH1A1 862/4885
US-20180186721-A1 OXIDATIVE COUPLING OF ARYL BORON REAGENTS WITH SP3-CARBON NUCLEOPHILES, AND AMBIENT DECARBOXYLATIVE ARYLATION OF MALONATE HALF-ESTERS VIA OXIDATIVE CATALYSIS SOD1, AOC3, CBR3 SMN1; SMN2 1011/4885POLB 176/4885ALDH1A1 862/4885

“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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