SCHEMBL20154768

SCHEMBL20154768

C=C(CSC(C)=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 5/20 0.37
TET3 O43151 1/20 0.34
TET1 Q8NFU7 1/20 0.34
CYP2C19 P33261 1/20 0.34
HDAC3 O15379 3/20 0.33
HDAC4 P56524 3/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC7 Q8WUI4 3/20 0.33
HDAC2 Q92769 3/20 0.33
HDAC10 Q969S8 3/20 0.33
HDAC11 Q96DB2 3/20 0.33
HDAC8 Q9BY41 3/20 0.33
HDAC6 Q9UBN7 3/20 0.33
HDAC9 Q9UKV0 3/20 0.33
HDAC5 Q9UQL6 3/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
GRM1 Q13255 1/20 0.33
GRM2 Q14416 1/20 0.33
POLB P06746 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
SCHEMBL9197945 0.76
SCHEMBL3183131 0.74
SCHEMBL14328730 0.74 CYP2C19 (0.37) CYP2C19HDAC3HDAC4HDAC1HDAC7
SCHEMBL426229 0.73
SCHEMBL28445679 0.73 CYP2D6 (0.47) TET2TET3TET1CYP2C19GRIK1
SCHEMBL23879906 0.72
SCHEMBL14117192 0.72
Hydrochloric Acid SCHEMBL9127361 0.70
SCHEMBL4957174 0.70
SCHEMBL2112190 0.69 CYP2C19 (0.42) CYP2C19HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10947402-B2 Solder mask inkjet inks for manufacturing printed circuit boards AFGA-GEVAERT NV (BE) 2021-03-16 US disclosed
EP-3321331-B1 SOLDER MASK INKJET INKS FOR MANUFACTURING PRINTED CIRCUIT BOARDS AGFA GEVAERT (BE) 2020-10-21 EP disclosed
US-10351540-B2 1,2-dithiolane and dithiol compounds useful in treating mutant EGFR-mediated diseases and conditions SABILA BIOSCIENCES LLC (US) 2019-07-16 US disclosed
US-10351540-B2 1,2-dithiolane and dithiol compounds useful in treating mutant EGFR-mediated diseases and conditions SABILA BIOSCIENCES LLC (US) 2019-07-16 US disclosed
US-10246444-B2 1,2-dithiolane and dithiol compounds useful in treating mutant EGFR-mediated diseases and conditions SABILA BIOSCIENCES LLC (US) 2019-04-02 US disclosed
US-10246444-B2 1,2-dithiolane and dithiol compounds useful in treating mutant EGFR-mediated diseases and conditions SABILA BIOSCIENCES LLC (US) 2019-04-02 US disclosed
US-20180208584-A1 1,2-DITHIOLANE AND DITHIOL COMPOUNDS USEFUL IN TREATING MUTANT EGFR-MEDIATED DISEASES AND CONDITIONS SABILA BIOSCIENCES LLC (US) 2018-07-26 US disclosed
US-20180208584-A1 1,2-DITHIOLANE AND DITHIOL COMPOUNDS USEFUL IN TREATING MUTANT EGFR-MEDIATED DISEASES AND CONDITIONS SABILA BIOSCIENCES LLC (US) 2018-07-26 US disclosed
US-20180208584-A1 1,2-DITHIOLANE AND DITHIOL COMPOUNDS USEFUL IN TREATING MUTANT EGFR-MEDIATED DISEASES AND CONDITIONS SABILA BIOSCIENCES LLC (US) 2018-07-26 US disclosed
US-20180208564-A1 1,2-DITHIOLANE AND DITHIOL COMPOUNDS USEFUL IN TREATING MUTANT EGFR-MEDIATED DISEASES AND CONDITIONS SABILA BIOSCIENCES LLC (US) 2018-07-26 US disclosed
US-20180208564-A1 1,2-DITHIOLANE AND DITHIOL COMPOUNDS USEFUL IN TREATING MUTANT EGFR-MEDIATED DISEASES AND CONDITIONS SABILA BIOSCIENCES LLC (US) 2018-07-26 US disclosed
US-20180208564-A1 1,2-DITHIOLANE AND DITHIOL COMPOUNDS USEFUL IN TREATING MUTANT EGFR-MEDIATED DISEASES AND CONDITIONS SABILA BIOSCIENCES LLC (US) 2018-07-26 US disclosed
WO-2018087059-A1 SOLDER MASK INKJET INKS FOR MANUFACTURING PRINTED CIRCUIT BOARDS AGFA-GEVAERT N.V. (BE) 2018-05-17 WO 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-10246444-B2 1,2-dithiolane and dithiol compounds useful in treating mutant EGFR-mediated diseases and conditions EGFR, BRCA1, PTPRJ TET2 2199/4885TET3 1998/4885TET1 721/4885
US-20180208564-A1 1,2-DITHIOLANE AND DITHIOL COMPOUNDS USEFUL IN TREATING MUTANT EGFR-MEDIATED DISEASES AND CONDITIONS EGFR, BRCA1, PTPRJ TET2 2199/4885TET3 1998/4885TET1 721/4885
US-10351540-B2 1,2-dithiolane and dithiol compounds useful in treating mutant EGFR-mediated diseases and conditions EGFR, BRCA1, PTPRJ TET2 2199/4885TET3 1998/4885TET1 721/4885
US-20180208584-A1 1,2-DITHIOLANE AND DITHIOL COMPOUNDS USEFUL IN TREATING MUTANT EGFR-MEDIATED DISEASES AND CONDITIONS EGFR, BRCA1, PTPRJ TET2 2199/4885TET3 1998/4885TET1 721/4885

“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.