SCHEMBL4013434

SCHEMBL4013434

CCOC(=O)C(Br)c1ccsc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
ALOX5 P09917 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL8178062 0.83 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4ALOX5
SCHEMBL5129994 0.83 ALOX5 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4ALOX5
SCHEMBL18734631 0.83 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4ALOX5
SCHEMBL10762809 0.81 ALOX5 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4ALOX5
SCHEMBL6384665 0.81 ALOX5 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4ALOX5
SCHEMBL11362145 0.80 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4ALOX5
SCHEMBL28551863 0.80 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4ALOX5
SCHEMBL8849171 0.80 MMP8 (0.43) ALDH1A1MEN1KMT2ATDP1MMP8
SCHEMBL18719437 0.80 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4ALOX5
SCHEMBL16808537 0.79 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495020-B2 2-aryloxy-2-arylalkanoic acids for diabetes and lipid disorders MERCK & CO., INC. (US) 2009-02-24 US disclosed
US-7495020-B2 2-aryloxy-2-arylalkanoic acids for diabetes and lipid disorders MERCK & CO., INC. (US) 2009-02-24 US disclosed
US-7495020-B2 2-aryloxy-2-arylalkanoic acids for diabetes and lipid disorders MERCK & CO., INC. (US) 2009-02-24 US disclosed
US-7091230-B2 2-aryloxy-2-arylalkanoic acids for diabetes and lipid disorders MERCK & CO., INC. (US) 2006-08-15 US disclosed
US-20060122242-A1 2-Aryloxy-2-arylalkanoic acids for diabetes and lipid disorders MERCK SHARP & DOHME CORP. 2006-06-08 US disclosed
EP-1366012-A4 2-ARYLOXY-2-ARYLALKANOIC ACIDS FOR DIABETES AND LIPID DISORDERS MERCK & CO INC (US) 2005-11-02 EP disclosed
US-20040092596-A1 2-Aryloxy-2arylalkanoic acids for diabetes and lipid disorders MERCK SHARP & DOHME CORP. 2004-05-13 US disclosed
EP-1366012-A2 2-ARYLOXY-2-ARYLALKANOIC ACIDS FOR DIABETES AND LIPID DISORDERS Merck & Co., Inc. (US) 2003-12-03 EP disclosed
WO-2002064094-A2 2-ARYLOXY-2-ARYLALKANOIC ACIDS FOR DIABETES AND LIPID DISORDERS MERCK & CO., INC. (US) 2002-08-22 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-20060122242-A1 2-Aryloxy-2-arylalkanoic acids for diabetes and lipid disorders PPARA, PPARG, PPARD CHRNB2 3772/4885CHRNB4 3976/4885CHRNA3 2927/4885
US-20040092596-A1 2-Aryloxy-2arylalkanoic acids for diabetes and lipid disorders PPARA, PPARG, PPARD CHRNB2 3414/4885CHRNB4 3516/4885CHRNA3 2874/4885

“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.