SCHEMBL21084341

SCHEMBL21084341

COC(=O)C1CCC(OC[SH](=O)=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.41
▸ TP53 P04637 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ ALDH1A1 P00352 6/20 0.35
▸ CHRNB2 P17787 2/20 0.34
▸ CHRNA4 P43681 2/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PPM1B O75688 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ PPP1CC P36873 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
SCHEMBL21084340 0.90 CHRNB2 (0.36) GAATP53SMN1; SMN2ALDH1A1CHRNB2
SCHEMBL17711735 0.81 GAA (0.49) GAATP53SMN1; SMN2ALDH1A1CHRNB2
SCHEMBL15382523 0.81 GAA (0.49) GAATP53SMN1; SMN2ALDH1A1CHRNB2
SCHEMBL17711734 0.81 GAA (0.49) GAATP53SMN1; SMN2ALDH1A1CHRNB2
SCHEMBL269376 0.78 GAA (0.42) GAATP53SMN1; SMN2ALDH1A1CHRNB2
SCHEMBL18825576 0.78 GAA (0.42) GAATP53SMN1; SMN2ALDH1A1CHRNB2
SCHEMBL10190327 0.76 GAA (0.45) GAATP53SMN1; SMN2ALDH1A1CHRNB2
SCHEMBL3582915 0.76 GAA (0.41) GAATP53SMN1; SMN2ALDH1A1CHRNB2
SCHEMBL2948892 0.76 TP53 (0.56) GAATP53SMN1; SMN2ALDH1A1CHRNB2
SCHEMBL244740 0.76 — —

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-10710959-B2 Sulfide alkyl compounds for HBV treatment NOVIRA THERAPEUTICS, INC. (US) 2020-07-14 — — US disclosed
US-20190202780-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT NOVIRA THERAPEUTICS, INC. 2019-07-04 — — 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-20190202780-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT HAVCR2, HCCS, CBS GAA 3156/4885TP53 395/4885SMN1; SMN2 4824/4885
US-10710959-B2 Sulfide alkyl compounds for HBV treatment HAVCR2, HCCS, CBS GAA 3156/4885TP53 395/4885SMN1; SMN2 4824/4885

“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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