SCHEMBL2809742

SCHEMBL2809742

[O]c1ccc2c(c1)OCCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
BLM P54132 1/20 0.48
ITGB2 P05107 1/20 0.48
ICAM1 P05362 1/20 0.48
ITGAL P20701 1/20 0.48
KDM4E B2RXH2 3/20 0.47
GAA P10253 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PKM P14618 2/20 0.46
PKLR P30613 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ATM Q13315 1/20 0.46
ALOX5 P09917 1/20 0.45
POLB P06746 2/20 0.44

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
SCHEMBL921252 0.85 CYP3A4 (0.54) MAPTGAANPC1RAB9ACYP1A2
SCHEMBL5545604 0.75 CHRM2 (0.43) TSHRMAPTPKMCYP1A2
SCHEMBL1656351 0.75 PRKCI (0.52) MAPTNPC1RAB9APKMPKLR
SCHEMBL15677665 0.74 ALOX5 (0.72) TSHRMAPTLMNAHTTBLM
SCHEMBL12732266 0.72 ITGB2 (0.47) TSHRMAPTLMNAHTTBLM
SCHEMBL25730042 0.71 TSHR (0.47) TSHRMAPTLMNAHTTBLM
SCHEMBL27382541 0.71 ITGB2 (0.53) TSHRMAPTLMNAHTTBLM
SCHEMBL11896506 0.70 ALDH1A1 (0.62) MAPTKDM4EGAAATMHPGD
SCHEMBL159592 0.70 MAPT (0.83) TSHRMAPTLMNAHTTBLM
SCHEMBL746125 0.70 CYP3A4 (0.74) TSHRMAPTLMNAHTTBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6569847-B1 Inhibitors of cathepsins for treating muscular dystrophy, osteoporosis, rheumatoid arthritis, neuronal or cardiac ischaemia, allergy, or Chagas disease NAEJA PHARMACEUTICALS INC. (CA) 2003-05-27 US claimed
JP-2002544121-A 2002-12-24 JP claimed
EP-1165506-A1 SUBSTITUTED AZETIDIN-2-ONES AS CYSTEINE PROTEASE INHIBITORS Naeja Pharmaceutical Inc. (CA) 2002-01-02 EP claimed
WO-2000059881-A1 SUBSTITUTED AZETIDIN-2-ONES AS CYSTEINE PROTEASE INHIBITORS NAEJA PHARMACEUTICAL INC (CA) 2000-10-12 WO claimed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-8278473-B2 Alpha, beta-unsaturated imidate compound and pesticidal composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-02 US disclosed
US-20100240729-A1 ALPHA, BETA-UNSATURATED IMIDATE COMPOUND AND PESTICIDAL COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-23 US disclosed
WO-2009064031-A1 ALPHA, BETA-UNSATURATED IMIDATE COMPOUND AND PESTICIDAL COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-22 WO disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-6569847-B1 Inhibitors of cathepsins for treating muscular dystrophy, osteoporosis, rheumatoid arthritis, neuronal or cardiac ischaemia, allergy, or Chagas disease NAEJA PHARMACEUTICALS INC. (CA) 2003-05-27 US disclosed
EP-1165506-A1 SUBSTITUTED AZETIDIN-2-ONES AS CYSTEINE PROTEASE INHIBITORS Naeja Pharmaceutical Inc. (CA) 2002-01-02 EP disclosed
WO-2000059881-A1 SUBSTITUTED AZETIDIN-2-ONES AS CYSTEINE PROTEASE INHIBITORS NAEJA PHARMACEUTICAL INC (CA) 2000-10-12 WO disclosed
WO-1999048911-A1 MONOBACTAM ENZYME INHIBITORS NAEJA PHARMACEUTICAL INC. (GB) 1999-09-30 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-20100240729-A1 ALPHA, BETA-UNSATURATED IMIDATE COMPOUND AND PESTICIDAL COMPOSITION CONTAINING THE SAME OXER1, CBR1, DEGS1 TSHR 246/4885MAPT 4608/4885LMNA 2201/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 TSHR 319/4885MAPT 4117/4885LMNA 4152/4885

“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.