SCHEMBL1336951

SCHEMBL1336951

CC(=O)OC(CC1CC1)OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
CTSK P43235 6/20 0.33
CTSS P25774 1/20 0.33
GALR3 O60755 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ANPEP P15144 2/20 0.32
ENPEP Q07075 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CTSL P07711 3/20 0.32
CTSB P07858 3/20 0.32
ALOX15 P16050 1/20 0.31
CTSH P09668 2/20 0.31

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
SCHEMBL7606515 0.77 TSHR (0.37) TSHR
SCHEMBL7606622 0.71 TSHR (0.38) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL31678956 0.70 ANPEP (0.36) CTSKCTSSANPEPENPEPTDP1
SCHEMBL28861955 0.70 CPB2 (0.34) TSHR
SCHEMBL435530 0.70 CTSK (0.43) CTSKCTSLCTSBCTSH
SCHEMBL7492172 0.70 CTSK (0.39) CTSKCTSSCTSLCTSBCTSH
SCHEMBL7495648 0.70 CTSK (0.39) CTSKCTSSCTSLCTSBCTSH
SCHEMBL10894386 0.70 CTSK (0.38) CTSKCTSLCTSBCTSH
SCHEMBL10782810 0.69 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7604347 0.69 TSHR (0.35) TSHRCHRM2CHRM4CHRM1TBXA2R

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-8232275-B2 2,2-bis-(hydroxymethyl)cyclopropylidenemethyl-purines and -pyrimidines as antiviral agents WAYNE STATE UNIVERSITY (US) 2012-07-31 US disclosed
US-20110275652-A1 2,2-BIS-(HYDROXYMETHYL)CYCLOPROPYLIDENEMETHYL-PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS WAYNE STATE UNIVERSITY 2011-11-10 US disclosed
EP-1490368-B1 2,2-BIS(HYDROXYMETHYL)CYCLOPROPYLIDENEMETHYL - PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS UNIV WAYNE STATE (US) 2011-08-03 EP disclosed
US-20090118308-A1 2,2-Bis-(hydroxymethyl)cyclopropylidenemethyl-Purines and -Pyrimidines As Antiviral Agents WAYNE STATE UNIVERSITY (US) 2009-05-07 US disclosed
US-7393855-B2 2,2-bis-(hydroxymethyl)cyclopropylidenemethyl-purines and pyrimidines as antiviral agents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-07-01 US disclosed
EP-1490368-A4 2,2-BIS(HYDROXYMETHYL)CYCLOPROPYLIDENEMETHYL - PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS UNIV WAYNE STATE (US) 2006-07-19 EP disclosed
US-20050113393-A1 2,2-bis-(hydroxymethyl)cyclopropylidenemethyl-purines and pyrmindines as antiviral agents WAYNE STATE UNIVERSITY (US) 2005-05-26 US disclosed
EP-1490368-A2 2,2-BIS(HYDROXYMETHYL)CYCLOPROPYLIDENEMETHYL - PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS Wayne State University (US) 2004-12-29 EP disclosed
WO-2003104440-A2 2,2-BIS(HYDROXYMETHYL)CYCLOPROPYLIDENEMETHYL - PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS WAYNE STATE UNIVERSITY (US) 2003-12-18 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-20110275652-A1 2,2-BIS-(HYDROXYMETHYL)CYCLOPROPYLIDENEMETHYL-PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS TPMT, HPRT1, MTAP TSHR 3628/4885CHRM2 3885/4885CHRM4 4414/4885
US-20050113393-A1 2,2-bis-(hydroxymethyl)cyclopropylidenemethyl-purines and pyrmindines as antiviral agents TPMT, HPRT1, MTAP TSHR 3817/4885CHRM2 3623/4885CHRM4 4456/4885
US-20090118308-A1 2,2-Bis-(hydroxymethyl)cyclopropylidenemethyl-Purines and -Pyrimidines As Antiviral Agents TPMT, HPRT1, MTAP TSHR 3628/4885CHRM2 3885/4885CHRM4 4414/4885

“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.