SCHEMBL13007121

SCHEMBL13007121

C=CCNC(=S)SC(C)(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ TSHR P16473 2/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ MAPT P10636 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ RAB9A P51151 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
SCHEMBL14277382 0.77 ALDH1A1 (0.41) ALDH1A1
SCHEMBL11855121 0.71 — —
SCHEMBL2362804 0.70 ALDH1A1 (0.39) ALDH1A1GAA
SCHEMBL10818200 0.69 TSHR (0.46) ALDH1A1TSHRSMN1; SMN2MAPTPOLB
SCHEMBL13544528 0.68 TSHR (0.42) ALDH1A1TSHRSMN1; SMN2MAPTPOLB
SCHEMBL20734581 0.68 ALDH1A1 (0.54) ALDH1A1TSHRSMN1; SMN2MAPTGAA
SCHEMBL760267 0.66 ALDH1A1 (0.52) ALDH1A1TSHR
SCHEMBL692168 0.66 — —
SCHEMBL12622560 0.65 ALDH1A1 (0.47) ALDH1A1TSHR
SCHEMBL20734640 0.64 KDM4A (0.67) ALDH1A1TSHRSMN1; SMN2MAPTPOLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851582-B2 S-(α, α′-disubstituted-α″-acetic acid)—substituted dithiocarbonate derivatives for controlled radical polymerizations, process and polymers made therefrom LUBRIZOL ADVANCED MATERIALS, INC. (US) 2010-12-14 — — US disclosed
US-7498456-B2 S-(α, α′-disubstituted-α″-acetic acid) substituted dithiocarbonate derivatives for controlled radical polymerization, process and polymers made therefrom LUBRIZOL ADVANCED MATERIALS, INC. (US) 2009-03-03 — — US disclosed
US-20080214773-A1 S-(Alpha, Alpha'-Disubstituted-Alpha\"-Acetic Acid) - Substituted Dithiocarbonate Derivatives For Controlled Radical Polymerizations, Process and Polymers Made Therefrom LAI JOHN TA-YUAN 2008-09-04 — — US disclosed
US-20070167571-A1 S-(Alpha, Alpha'-Disubstituted-Alpha\"-Acetic Acid) Substituted Dithiocarbonate Derivatives for Controlled Radical Polymerizations, Process and Polymers Made Therefrom LUBRIZOL ADVANCED MATERIALS, INC. 2007-07-19 — — US disclosed
US-7205368-B2 S-(α, α′-disubstituted-α′ ′-acetic acid) substituted dithiocarbonate derivatives for controlled radical polymerizations, process and polymers made therefrom NOVEON, INC. (US) 2007-04-17 — — 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-20080214773-A1 S-(Alpha, Alpha'-Disubstituted-Alpha\"-Acetic Acid) - Substituted Dithiocarbonate Derivatives For Controlled Radical Polymerizations, Process and Polymers Made Therefrom TST, ACMSD, ETFA ALDH1A1 110/4885TSHR 2886/4885SMN1; SMN2 2111/4885
US-20070167571-A1 S-(Alpha, Alpha'-Disubstituted-Alpha\"-Acetic Acid) Substituted Dithiocarbonate Derivatives for Controlled Radical Polymerizations, Process and Polymers Made Therefrom TST, ACMSD, SRM ALDH1A1 131/4885TSHR 3041/4885SMN1; SMN2 2275/4885

“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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