SCHEMBL2116816

SCHEMBL2116816

[CH2]c1ccc(OCC)c(OCC)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.46
KDM4E B2RXH2 8/20 0.46
HSD17B10 Q99714 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
MAPK1 P28482 2/20 0.36
ESR1 P03372 1/20 0.35
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NQO1 P15559 1/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 1/20 0.34
TUBB1 Q9H4B7 2/20 0.33
AOC3 Q16853 1/20 0.33
POLB P06746 1/20 0.33
PDE4A P27815 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
SCHEMBL973269 0.83 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL23361704 0.79 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL2120318 0.78 KDM4E (0.40) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL2118530 0.78 KDM4E (0.41) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL9196941 0.78 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL7494250 0.77 KDM4E (0.42) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL3656960 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL2117233 0.73 NQO1 (0.36) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL796952 0.73 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL16953687 0.73 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD

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 ALDH1A1 639/4885KDM4E 350/4885HSD17B10 1572/4885

“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.