SCHEMBL21165985

SCHEMBL21165985

CCC(C)(C)OC1CCS(=O)(=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL24854789 0.82 GAA (0.40) GAAL3MBTL1CYP1A2
SCHEMBL7803296 0.79 GAA (0.31) GAA
SCHEMBL29077721 0.76 ALDH1A1 (0.38) ALDH1A1TSHRTDP1CYP1A2
SCHEMBL9750789 0.74 ALDH1A1 (0.36) ALDH1A1TSHRTDP1CYP1A2
SCHEMBL19965920 0.74 ALDH1A1 (0.36) ALDH1A1TSHRTDP1CYP1A2
SCHEMBL21579250 0.73 CHRM3 (0.36) ALDH1A1TSHRTDP1
SCHEMBL25036313 0.72 PIN1 (0.31) GAAL3MBTL1
SCHEMBL16919248 0.71 ALDH1A1 (0.33) ALDH1A1TSHRTDP1
SCHEMBL13760354 0.71 ALDH1A1 (0.33) ALDH1A1TSHRTDP1
SCHEMBL19184823 0.71 SHBG (0.35) ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10981926-B2 Substituted thiohydantoin derivatives as androgen receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2021-04-20 US disclosed
US-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-20200109150-A1 Substituted Thiohydantoin Derivatives As Androgen Receptor Antagonists JANSSEN PHARMACEUTICA NV (BE) 2020-04-09 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 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 (4 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-10981926-B2 Substituted thiohydantoin derivatives as androgen receptor antagonists AR, SHBG, NR5A1 GAA 4196/4885L3MBTL1 2252/4885ALDH1A1 350/4885
US-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 GAA 1172/4885L3MBTL1 4021/4885ALDH1A1 1320/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 GAA 1172/4885L3MBTL1 4021/4885ALDH1A1 1320/4885
US-20200109150-A1 Substituted Thiohydantoin Derivatives As Androgen Receptor Antagonists AR, SHBG, NR5A1 GAA 4196/4885L3MBTL1 2252/4885ALDH1A1 350/4885

“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.