SCHEMBL4082532

SCHEMBL4082532

CC(C)(C)c1cc(S(=O)(=O)CC#N)cc(C(C)(C)C)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
TSHR P16473 7/20 0.42
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
MAPT P10636 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
CYP3A4 P08684 5/20 0.42
BLM P54132 5/20 0.42
GAA P10253 5/20 0.42
LMNA P02545 5/20 0.42
CYP1A2 P05177 5/20 0.42
HSD17B10 Q99714 4/20 0.42
HIF1A Q16665 4/20 0.42
ALOX15 P16050 4/20 0.42
CYP2C9 P11712 4/20 0.42
TP53 P04637 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
RECQL P46063 3/20 0.42
GMNN O75496 3/20 0.42
NFKB1 P19838 3/20 0.42

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
SCHEMBL9501236 0.79 CA2 (0.48) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL13522250 0.74 CA2 (0.56) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL1962153 0.72 CA2 (0.54) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL6858911 0.72 CA2 (0.54) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL4710701 0.72 CA2 (0.54) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL5362128 0.72 MEN1 (0.56) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL5362140 0.72 MEN1 (0.56) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL5362134 0.72 MEN1 (0.56) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL5459294 0.72 MAPT (0.40) ALDH1A1TSHRMEN1KMT2AMAPT
Ammonia Solution, Strong SCHEMBL25385967 0.71 CA2 (0.52) ALDH1A1TSHRMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070004799-A1 Novel compounds for the treatment of obesity NOVO NORDISK A/S (DK) 2007-01-04 US claimed
EP-1689707-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2006-08-16 EP claimed
WO-2005051900-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2005-06-09 WO claimed
EP-1625112-B1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY HIGH POINT PHARMACEUTICALS LLC (US) 2009-07-22 EP disclosed
US-20070004799-A1 Novel compounds for the treatment of obesity NOVO NORDISK A/S (DK) 2007-01-04 US disclosed
US-20070004799-A1 Novel compounds for the treatment of obesity NOVO NORDISK A/S (DK) 2007-01-04 US disclosed
US-20070004799-A1 Novel compounds for the treatment of obesity NOVO NORDISK A/S (DK) 2007-01-04 US disclosed
EP-1689707-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2006-08-16 EP disclosed
US-20060128662-A1 Novel compounds for treatment of obesity NOVO NORDISK A/S (DK) 2006-06-15 US disclosed
EP-1625112-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2006-02-15 EP disclosed
WO-2005051900-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2005-06-09 WO disclosed
WO-2004101505-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-11-25 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 (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-20070004799-A1 Novel compounds for the treatment of obesity GPR119, NR4A3, NR4A1 ALDH1A1 1895/4885TSHR 133/4885MEN1 4657/4885
US-20060128662-A1 Novel compounds for treatment of obesity GPR119, FABP4, HSD17B4 ALDH1A1 66/4885TSHR 2048/4885MEN1 4794/4885

“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.