SCHEMBL4535689

SCHEMBL4535689

CCOC(=O)COC[C@@H](C)COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
NLRP3 Q96P20 3/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 2/20 0.39
ABCB1 P08183 1/20 0.39
PPID Q08752 1/20 0.38
TK1 P04183 2/20 0.38
HSD11B1 P28845 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36
CASP9 P55211 1/20 0.36

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
SCHEMBL2180294 0.84 TK1 (0.39) SMN1; SMN2POLBKMT2AABCB1TK1
SCHEMBL12409617 0.84 CYP2C19 (0.37) POLBKMT2ATK1ALDH1A1LMNA
SCHEMBL4535864 0.84 CYP2C19 (0.37) POLBKMT2ATK1ALDH1A1LMNA
SCHEMBL3078236 0.82 SMN1; SMN2 (0.49) SMN1; SMN2NLRP3POLBKMT2AABCB1
SCHEMBL7923207 0.82 TK2 (0.44) SMN1; SMN2NLRP3POLBKMT2AABCB1
SCHEMBL5829016 0.78 TK1 (0.46) SMN1; SMN2POLBKMT2APPIDTK1
SCHEMBL8036817 0.77 SMN1; SMN2 (0.38) SMN1; SMN2NLRP3POLBKMT2AABCB1
SCHEMBL2619884 0.77 SMN1; SMN2 (0.38) SMN1; SMN2NLRP3POLBKMT2AABCB1
SCHEMBL4527231 0.75 KIF11 (0.36) KMT2AABCB1TK1
SCHEMBL9175373 0.75 TK1 (0.44) SMN1; SMN2POLBKMT2ATK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966217-B1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2013-05-08 EP disclosed
US-8183246-B2 Acyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-8183246-B2 Acyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-8183246-B2 Acyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-07 US disclosed
US-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-07 US disclosed
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-12-24 US disclosed
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-12-24 US disclosed
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-12-24 US disclosed
WO-2008155016-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 WO disclosed
WO-2008131858-A2 USE OF ACYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
WO-2007079862-A1 NOVEL, ACYCLIC 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 (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-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF DPYD, TPMT, TYMP SMN1; SMN2 3096/4885NLRP3 759/4885POLB 297/4885
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof DPYD, PNPO, TPMT SMN1; SMN2 2513/4885NLRP3 583/4885POLB 562/4885

“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.