SCHEMBL5050249

SCHEMBL5050249

[CH2]COCc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.48
AGXT P21549 2/20 0.48
MAOB P27338 5/20 0.44
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
APP P05067 1/20 0.40
CYP1A2 P05177 1/20 0.39
DHFR P00374 1/20 0.39
MAOA P21397 1/20 0.39
GBA1 P04062 1/20 0.37
UGCG Q16739 1/20 0.37
GBA2 Q9HCG7 1/20 0.37
KMT2A Q03164 3/20 0.37

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
SCHEMBL1109924 0.94 IDO1 (0.54) IDO1AGXTMAOBUSP2GAA
SCHEMBL4995796 0.79 IDO1 (0.64) IDO1AGXTMAOBUSP2GAA
SCHEMBL8995755 0.77 IDO1 (0.61) IDO1AGXTMAOBUSP2GAA
SCHEMBL5977520 0.77 IDO1 (0.50) IDO1AGXTMAOBUSP2GAA
SCHEMBL14420303 0.76 PPARG (0.49) IDO1AGXTMAOBPPARGPPARA
SCHEMBL11711978 0.75 MAOB (0.52) IDO1AGXTMAOBCYP1A2
SCHEMBL357428 0.74 IDO1 (0.64) IDO1AGXTMAOBAPPMAOA
SCHEMBL13378275 0.74 IDO1 (0.52) IDO1AGXTMAOBPPARGPPARA
SCHEMBL5975337 0.73 IDO1 (0.47) IDO1AGXTMAOBUSP2GAA
SCHEMBL11334466 0.73 PPARG (0.54) IDO1AGXTPPARGPPARARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1292611-B1 GLYCOPEPTIDE CARBOXY-SACCHARIDE DERIVATIVES THERAVANCE INC (US) 2008-03-12 EP disclosed
US-7244705-B2 Polyacid glycopeptide derivatives THERAVANCE, INC. (US) 2007-07-17 US disclosed
US-20060194716-A1 Polyacid glycopeptide derivatives THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2006-08-31 US disclosed
US-7074760-B2 Polyacid glycopeptide derivatives THERAVANCE, INC. (US) 2006-07-11 US disclosed
US-20050164919-A1 Polyacid glycopeptide derivatives THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2005-07-28 US disclosed
US-6906031-B2 Polyacid glycopeptide derivatives THERAVANCE, INC. (US) 2005-06-14 US disclosed
US-6770621-B2 GLYCOPEPTIDE WITH TWO OR MORE CARBOXY GROUPS AT THE C-TERMINUS, NOT INCLUDING SPECIFIED TEICOPLANINS; TREATING BACTERIAL DISEASES THERAVANCE, INC. 2004-08-03 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 (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-20050164919-A1 Polyacid glycopeptide derivatives B3GAT3, NGLY1, DNPEP IDO1 3837/4885AGXT 209/4885MAOB 4327/4885
US-20060194716-A1 Polyacid glycopeptide derivatives B3GAT3, NGLY1, DNPEP IDO1 3837/4885AGXT 209/4885MAOB 4327/4885

“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.