SCHEMBL1787099

SCHEMBL1787099

CC(C)(C)OC(=O)CO[C@@H]1C=C[C@H](O)C1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 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
SCHEMBL14020753 1.00 CYP11B1 (0.32) CYP11B1CYP11B2CHRM2CHRM1CHRM3
SCHEMBL12607079 1.00 CYP11B1 (0.32) CYP11B1CYP11B2CHRM2CHRM1CHRM3
SCHEMBL12607086 1.00 CYP11B1 (0.32) CYP11B1CYP11B2CHRM2CHRM1CHRM3
SCHEMBL12607089 0.83 CYP11B1 (0.32) CYP11B1CYP11B2
SCHEMBL1786318 0.81 CYP11B1 (0.31) CYP11B1CYP11B2
SCHEMBL1788011 0.81 CYP11B1 (0.31) CYP11B1CYP11B2
SCHEMBL11823381 0.79 NFKB1 (0.32) CHRM2CHRM1CHRM3NFKB1NFKB2
SCHEMBL11823370 0.79 NFKB1 (0.32) CHRM2CHRM1CHRM3NFKB1NFKB2
SCHEMBL22616385 0.73 CHRM2 (0.42) CYP11B1CYP11B2CHRM2CHRM1CHRM3
SCHEMBL20722075 0.73 CHRM2 (0.42) CYP11B1CYP11B2CHRM2CHRM1CHRM3

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-8324222-B2 Cyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-04 US disclosed
US-8324222-B2 Cyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-04 US disclosed
US-8324222-B2 Cyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-04 US disclosed
US-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 US disclosed
US-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 US disclosed
US-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 US disclosed
EP-1966218-B1 NOVEL, CYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AG (DE) 2010-07-14 EP disclosed
WO-2008131859-A2 USE OF CYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
WO-2007079861-A1 NOVEL, CYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-07-19 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 (1 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-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof DPYD, TK2, TPMT CYP11B1 106/4885CYP11B2 107/4885CHRM2 4365/4885

“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.