SCHEMBL17266170

SCHEMBL17266170

OCCN(CCOC(=S)S)CCOC(=S)S

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31

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
SCHEMBL17266169 0.91 ALDH1A1 (0.46) ALDH1A1CYP2C9HPGDHSD17B10CA12
SCHEMBL28614669 0.80 ALDH1A1 (0.48) ALDH1A1CYP2C9HPGDHSD17B10CA12
SCHEMBL17266168 0.78 CA12 (0.38) ALDH1A1CYP2C9HPGDHSD17B10CA12
SCHEMBL21215048 0.78 ALDH1A1 (0.38) ALDH1A1CYP2C9HPGDHSD17B10CA12
SCHEMBL28612628 0.77 ALDH1A1 (0.61) ALDH1A1CYP2C9HPGDHSD17B10
SCHEMBL28610205 0.77 ALDH1A1 (0.45) ALDH1A1CYP2C9HPGDHSD17B10CA12
SCHEMBL28613001 0.76 ALDH1A1 (0.59) ALDH1A1CYP2C9HPGDHSD17B10
SCHEMBL28921730 0.75 ALDH1A1 (0.44) ALDH1A1CYP2C9HPGDHSD17B10CA12
SCHEMBL9319355 0.75
SCHEMBL28610203 0.72 KDM4E (0.39) ALDH1A1CYP2C9HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220135525-A1 Carbondisulfide Derived Zwitterions DALY THOMAS (US) 2022-05-05 US disclosed
US-10975027-B2 Carbondisulfide derived zwitterions DALY THOMAS (US) 2021-04-13 US disclosed
US-20200331853-A1 Carbondisulfide Derived Zwitterions DALY THOMAS (US) 2020-10-22 US disclosed
US-10696628-B2 Carbondisulfide derived zwitterions TPAT IP LLC (US) 2020-06-30 US disclosed
US-20190233372-A1 Carbondisulfide Derived Zwitterions TPAT IP LLC 2019-08-01 US disclosed
US-10259783-B2 Carbondisulfide derived zwitterions TPAT IP LLC 2019-04-16 US disclosed
US-20170275248-A1 Carbondisulfide Derived Zwitterions TPAT IP LLC 2017-09-28 US disclosed
US-9676709-B2 Carbondisulfide derived zwitterions TPAT IP LLC 2017-06-13 US disclosed
US-20170129853-A1 Carbondisulfide Derived Zwitterions TPAT IP LLC 2017-05-11 US disclosed
US-9580385-B2 Carbondisulfide derived zwitterions TPAT IP LLC 2017-02-28 US disclosed
US-20150329486-A1 Carbondisulfide Derived Zwitterions TPAT IP LLC 2015-11-19 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 (9 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-20170129853-A1 Carbondisulfide Derived Zwitterions SRM, PKD1, SLC7A11 ALDH1A1 4270/4885CYP2C9 4556/4885HPGD 1931/4885
US-20170275248-A1 Carbondisulfide Derived Zwitterions SRM, PKD1, SLC7A11 ALDH1A1 4270/4885CYP2C9 4556/4885HPGD 1931/4885
US-20150329486-A1 Carbondisulfide Derived Zwitterions SRM, PKD1, SLC7A11 ALDH1A1 4270/4885CYP2C9 4556/4885HPGD 1931/4885
US-10259783-B2 Carbondisulfide derived zwitterions SRM, PKD1, SLC7A11 ALDH1A1 4270/4885CYP2C9 4556/4885HPGD 1931/4885
US-20220135525-A1 Carbondisulfide Derived Zwitterions SRM, PKD1, SLC7A11 ALDH1A1 4270/4885CYP2C9 4556/4885HPGD 1931/4885
US-20200331853-A1 Carbondisulfide Derived Zwitterions SRM, PKD1, SLC7A11 ALDH1A1 4270/4885CYP2C9 4556/4885HPGD 1931/4885
US-10696628-B2 Carbondisulfide derived zwitterions SRM, PKD1, SLC7A11 ALDH1A1 4270/4885CYP2C9 4556/4885HPGD 1931/4885
US-10975027-B2 Carbondisulfide derived zwitterions SRM, PKD1, SLC7A11 ALDH1A1 4270/4885CYP2C9 4556/4885HPGD 1931/4885
US-20190233372-A1 Carbondisulfide Derived Zwitterions SRM, PKD1, SLC7A11 ALDH1A1 4270/4885CYP2C9 4556/4885HPGD 1931/4885

“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.