SCHEMBL6049264

SCHEMBL6049264

CC(C)(C)OC(=O)c1[nH]c2ccccc2c1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.51
GABRG2 P18507 3/20 0.51
GABRB3 P28472 3/20 0.51
GABRA3 P34903 3/20 0.51
GABRA2 P47869 3/20 0.51
GABRA5 P31644 2/20 0.51
GABRA6 Q16445 2/20 0.51
GABRP O00591 1/20 0.51
GABRD O14764 1/20 0.51
GABRB1 P18505 1/20 0.51
GABRB2 P47870 1/20 0.51
GABRA4 P48169 1/20 0.51
GABRE P78334 1/20 0.51
GABRG1 Q8N1C3 1/20 0.51
GABRG3 Q99928 1/20 0.51
GABRQ Q9UN88 1/20 0.51
ALDH1A1 P00352 6/20 0.48
HPGD P15428 4/20 0.48
HSD17B10 Q99714 3/20 0.48
MAPT P10636 3/20 0.48

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
SCHEMBL14602590 0.83 ALDH1A1 (0.63) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL34463677 0.83 MEN1 (0.58) ALDH1A1HPGDHSD17B10MAPTHTT
SCHEMBL3879382 0.83 MEN1 (0.58) ALDH1A1HPGDHSD17B10MAPTHTT
SCHEMBL9687664 0.82 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL5488153 0.82 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL29236560 0.82 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL9223733 0.81 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL30580683 0.81 KDM4E (0.54) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL13168275 0.80 KDM4E (0.42) ALDH1A1HPGDHSD17B10MAPTKDM4E
SCHEMBL3695771 0.79 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA3GABRA2

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-20060264480-A1 Novel thiocarbamic acid derivatives and the pharmaceutical compositions containing the same SUH YOUNG G 2006-11-23 US disclosed
EP-1311477-A4 NOVEL THIOCARBAMIC ACID DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORP (KR) 2005-01-12 EP disclosed
US-6787651-B2 2-CARBOXY-SUBSTITUTED; TREATING OSTEOPENIA, OSTEOPOROSIS, CANCER, DIABETES AND ATHEROSCLEROSIS. SMITHKLINE BEECHAM CORPORATION 2004-09-07 US disclosed
US-20030203944-A1 Novel thiocarbamic acid derivatives and the pharmaceutical compositions containing the same PACIFIC CORPORATION (KR) 2003-10-30 US disclosed
EP-1341761-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-$g(g) BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-10 EP disclosed
EP-1311477-A1 NOVEL THIOCARBAMIC ACID DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2003-05-21 EP disclosed
US-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents SMITHKLINE BEECHAM CORPORATION 2003-05-08 US disclosed
WO-2002030895-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-η BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-18 WO disclosed
WO-2002016317-A1 NOVEL THIOCARBAMIC ACID DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2002-02-28 WO disclosed
EP-0574494-A4 INDOLES USEFUL AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LAB (US) 1994-07-06 EP disclosed
EP-0574494-A1 INDOLES USEFUL AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1993-12-22 EP disclosed
WO-1992014732-A1 INDOLES USEFUL AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1992-09-03 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 (3 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-20060264480-A1 Novel thiocarbamic acid derivatives and the pharmaceutical compositions containing the same TRPV1, TRPA1, TRPV5 GABRA1 346/4885GABRG2 480/4885GABRB3 267/4885
US-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents PPARG, PPARA, PPARD GABRA1 1316/4885GABRG2 1223/4885GABRB3 868/4885
US-20030203944-A1 Novel thiocarbamic acid derivatives and the pharmaceutical compositions containing the same TRPV1, TRPA1, TRPV5 GABRA1 346/4885GABRG2 480/4885GABRB3 267/4885

“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.