SCHEMBL2117236

SCHEMBL2117236

CCOc1ccccc1[C](C)C

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.58
ALDH1A1 P00352 4/20 0.56
HPGD P15428 1/20 0.56
HSD17B10 Q99714 1/20 0.56
L3MBTL1 Q9Y468 5/20 0.51
MAPT P10636 4/20 0.51
LMNA P02545 2/20 0.51
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.50
GLA P06280 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 3/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL2490797 0.84 HCRTR1 (0.59) HCRTR1ALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL2118351 0.83 HCRTR1 (0.54) HCRTR1ALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL30292656 0.83 LMNA (0.71) HCRTR1ALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL335970 0.83 LMNA (0.71) HCRTR1ALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL4952648 0.83 HCRTR1 (0.54) HCRTR1ALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL5197552 0.82 HCRTR1 (0.57) HCRTR1ALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL16950864 0.82 HCRTR1 (0.45) HCRTR1ALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL16959606 0.82 HCRTR1 (0.45) HCRTR1ALDH1A1HPGDHSD17B10L3MBTL1
Ammonia Solution, Strong SCHEMBL8638675 0.82 HCRTR1 (0.53) HCRTR1ALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL7666224 0.81 HCRTR1 (0.56) HCRTR1ALDH1A1HPGDHSD17B10L3MBTL1

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 HCRTR1 2577/4885ALDH1A1 639/4885HPGD 2041/4885

“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.