SCHEMBL19019294

SCHEMBL19019294

CN(c1cccc(C(C)(C)C)c1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.72
HPGD P15428 2/20 0.72
HSD17B10 Q99714 2/20 0.72
CYP3A4 P08684 1/20 0.72
CYP2C9 P11712 1/20 0.72
CYP2C19 P33261 1/20 0.72
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.46
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44
MAPT P10636 1/20 0.44
ALPG P10696 1/20 0.44

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
SCHEMBL19019161 0.84 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10CYP3A4CYP2C9
SCHEMBL19018985 0.83 ALDH1A1 (0.76) ALDH1A1HPGDHSD17B10CYP3A4CYP2C9
SCHEMBL19028009 0.82 ALDH1A1 (0.75) ALDH1A1HPGDHSD17B10CYP3A4CYP2C9
SCHEMBL19019160 0.82 ALDH1A1 (0.75) ALDH1A1HPGDHSD17B10CYP3A4CYP2C9
SCHEMBL19019244 0.81 ALDH1A1 (0.72) ALDH1A1HPGDHSD17B10CYP3A4CYP2C9
SCHEMBL19019162 0.81 ALDH1A1 (0.72) ALDH1A1HPGDHSD17B10CYP3A4CYP2C9
SCHEMBL19019173 0.81 ALDH1A1 (0.72) ALDH1A1HPGDHSD17B10CYP3A4CYP2C9
SCHEMBL19019174 0.77 ALDH1A1 (0.66) ALDH1A1HPGDHSD17B10CYP3A4CYP2C9
SCHEMBL19018984 0.76 ALDH1A1 (0.64) ALDH1A1HPGDHSD17B10CYP3A4CYP2C9
SCHEMBL19019157 0.76 ALDH1A1 (0.64) ALDH1A1HPGDHSD17B10CYP3A4CYP2C9

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-10208000-B2 Eis inhibitors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2019-02-19 US disclosed
US-20170174639-A1 EIS INHIBITORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2017-06-22 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-20170174639-A1 EIS INHIBITORS ABCC1, ATP5ME, ABCG2 ALDH1A1 819/4885HPGD 1286/4885HSD17B10 1502/4885
US-10208000-B2 Eis inhibitors ABCC1, ATP5ME, ABCG2 ALDH1A1 819/4885HPGD 1286/4885HSD17B10 1502/4885

“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.