SCHEMBL2117233

SCHEMBL2117233

[CH2]c1ccc(C)c(C)c1OCC

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.36
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 4/20 0.33
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
PTPN1 P18031 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
GRM5 P41594 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ELANE P08246 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
SCHEMBL6985548 0.82 NQO1 (0.42) NQO1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23361704 0.77 ALDH1A1 (0.49) NQO1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2119267 0.76 CYP19A1 (0.33) ALDH1A1KDM4E
SCHEMBL16952456 0.75 SCN4A (0.41) NQO1ALDH1A1KDM4EGRM5TSHR
SCHEMBL11062080 0.75 SCN5A (0.43) NQO1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL25344472 0.75 NQO1 (0.36) NQO1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL27514230 0.75 ALDH1A1 (0.42) NQO1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10434028 0.74 NQO1 (0.48) NQO1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2116816 0.73 ALDH1A1 (0.46) NQO1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL973269 0.72 ALDH1A1 (0.41) NQO1ALDH1A1KDM4EHPGDHSD17B10

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-8802895-B2 Amide derivatives of benzene-sulfonanilide, pharmaceutical composition thereof and method for cancer treatment using the same CLEVELAND STATE UNIVERSITY (US) 2014-08-12 US disclosed
EP-2629767-A1 AMIDE DERIVATIVES OF BENZENE-SULFONANILIDE, PHARMACEUTICAL COMPOSITION THEREOF AND METHOD FOR CANCER TREATMENT USING THE SAME Cleveland State University (US) 2013-08-28 EP disclosed
WO-2012054417-A1 AMIDE DERIVATIVES OF BENZENE-SULFONANILIDE, PHARMACEUTICAL COMPOSITION THEREOF AND METHOD FOR CANCER TREATMENT USING THE SAME CLEVELAND STATE UNIVERSITY (US) 2012-04-26 WO disclosed
US-20120095092-A1 AMIDE DERIVATIVES OF BENZENE-SULFONANILIDE, PHARMACEUTICAL COMPOSITION THEREOF AND METHOD FOR CANCER TREATMENT USING THE SAME CLEVELAND STATE UNIVERSITY 2012-04-19 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 (1 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-20120095092-A1 AMIDE DERIVATIVES OF BENZENE-SULFONANILIDE, PHARMACEUTICAL COMPOSITION THEREOF AND METHOD FOR CANCER TREATMENT USING THE SAME RB1, BCR, NRAS NQO1 243/4885ALDH1A1 639/4885KDM4E 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.