Sugi Predict

Sugi Predict / Compounds / SCHEMBL2180265

SCHEMBL2180265

SCHEMBL2180265

C[C@@H](O)CCCCC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.41
▸ CYP2D6 P10635 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ LMNA P02545 2/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL1184772 1.00 MAPT (0.41) MAPTCYP2D6EPHX2HDAC1HDAC2
SCHEMBL397490 0.94 CYP2D6 (0.40) MAPTCYP2D6EPHX2HDAC1HDAC2
SCHEMBL396124 0.94 CYP2D6 (0.40) MAPTCYP2D6EPHX2HDAC1HDAC2
SCHEMBL396125 0.94 CYP2D6 (0.40) MAPTCYP2D6EPHX2HDAC1HDAC2
SCHEMBL29707466 0.86 EPHX2 (0.39) CYP2D6EPHX2HDAC1HDAC2HDAC6
SCHEMBL28632400 0.86 CYP2D6 (0.42) MAPTCYP2D6EPHX2HDAC1HDAC2
SCHEMBL28634513 0.86 CYP2D6 (0.42) MAPTCYP2D6EPHX2HDAC1HDAC2
SCHEMBL27475233 0.86 CYP2D6 (0.42) MAPTCYP2D6EPHX2HDAC1HDAC2
SCHEMBL22098470 0.85 EPHX2 (0.41) MAPTCYP2D6EPHX2HDAC1HDAC2
SCHEMBL28243607 0.85 EPHX2 (0.41) MAPTCYP2D6EPHX2HDAC1HDAC2

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 17 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-20110028479-A1 SUBSTITUTED PYRROLOTRIAZINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2011-02-03 — — US disclosed
US-20100267749-A1 TRISUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-21 — — US disclosed
US-20100267749-A1 TRISUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-21 — — US disclosed
US-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE LAMPE THOMAS 2010-10-14 — — US disclosed
US-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE LAMPE THOMAS 2010-10-14 — — US disclosed
EP-2158206-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-03 — — EP 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-2009062605-A1 TRISUBSTITUTED FUROPYRIMIDINES AND THE USE THEREOF AS ACTIVATORS OF THE IP RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-05-22 — — WO disclosed
WO-2008155016-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 — — WO disclosed
WO-2008155017-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 — — 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 (5 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-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE HMGCR, PCSK9, FABP3 MAPT 4638/4885CYP2D6 159/4885EPHX2 1008/4885
US-20100267749-A1 TRISUBSTITUTED FUROPYRIMIDINES AND USE THEREOF DPYD, TPMT, TYMS MAPT 3842/4885CYP2D6 19/4885EPHX2 581/4885
US-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF DPYD, TPMT, TYMP MAPT 4386/4885CYP2D6 74/4885EPHX2 1149/4885
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof DPYD, PNPO, TPMT MAPT 4494/4885CYP2D6 109/4885EPHX2 1008/4885
US-20110028479-A1 SUBSTITUTED PYRROLOTRIAZINES AND THEIR USE PTGIR, PTGIS, PTGER2 MAPT 4857/4885CYP2D6 1414/4885EPHX2 1242/4885

“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.