SCHEMBL2291702

SCHEMBL2291702

COC(=O)c1ccc(CCC(CO)Cc2ccc(C#N)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 3/20 0.48
CYP4F2 P78329 2/20 0.47
PRSS1 P07477 1/20 0.43
CTSG P08311 1/20 0.43
CTRB1 P17538 1/20 0.43
CMA1 P23946 1/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL2294490 1.00 CYP4A11 (0.48) CYP4A11CYP4F2PRSS1CTSGCTRB1
SCHEMBL3022618 0.90 CYP4A11 (0.58) CYP4A11CYP4F2PRSS1LOXL2TSHR
SCHEMBL2290447 0.83 PRSS1 (0.47) CYP4A11CYP4F2PRSS1CTSGCTRB1
SCHEMBL2297709 0.83 PRSS1 (0.47) CYP4A11CYP4F2PRSS1CTSGCTRB1
SCHEMBL2160898 0.83 CYP4A11 (0.63) CYP4A11CYP4F2PRSS1LOXL2TSHR
SCHEMBL2291504 0.82 CYP4A11 (0.44) CYP4A11CYP4F2PRSS1CTSGCTRB1
SCHEMBL2289012 0.82 CYP4A11 (0.44) CYP4A11CYP4F2PRSS1CTSGCTRB1
SCHEMBL8235320 0.81 CYP4A11 (0.49) CYP4A11CYP4F2PRSS1LOXL2ALDH1A1
SCHEMBL8239354 0.81 CYP4A11 (0.43) CYP4A11CYP4F2PRSS1CTSGCTRB1
SCHEMBL2294317 0.80 CYP4A11 (0.47) CYP4A11CYP4F2LOXL2TSHRMEN1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940769-B1 DICARBOXYLIC ACID DERIVATIVES AND THEIR USE BAYER IP GMBH (DE) 2016-08-10 EP disclosed
EP-1940811-B1 HETEROCYCLIC COMPOUNDS WITH CARBOXYL ISOSTERE GROUPS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2014-02-26 EP disclosed
US-8609727-B2 Dicarboxylic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-17 US disclosed
US-8183271-B2 Tetrazole derivatives and their use for the treatment of cardiovascular diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-8183271-B2 Tetrazole derivatives and their use for the treatment of cardiovascular diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-8183271-B2 Tetrazole derivatives and their use for the treatment of cardiovascular diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-7998988-B2 Biphenyl compounds useful in the treatment or prevention of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGELLSCHAFT (DE) 2011-08-16 US disclosed
US-7998988-B2 Biphenyl compounds useful in the treatment or prevention of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGELLSCHAFT (DE) 2011-08-16 US disclosed
US-7998988-B2 Biphenyl compounds useful in the treatment or prevention of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGELLSCHAFT (DE) 2011-08-16 US disclosed
US-20100029772-A1 Dicarboxylic Acid Derivatives and their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 US disclosed
US-20100029772-A1 Dicarboxylic Acid Derivatives and their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 US disclosed
US-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2009-09-10 US disclosed
US-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2009-09-10 US disclosed
US-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2009-09-10 US disclosed
US-20090215843-A1 Tetrazole Derivatives and Their Use for the Treatment of Cardiovascular Diseases BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-08-27 US disclosed
US-20090215843-A1 Tetrazole Derivatives and Their Use for the Treatment of Cardiovascular Diseases BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-08-27 US disclosed
US-20090215843-A1 Tetrazole Derivatives and Their Use for the Treatment of Cardiovascular Diseases BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-08-27 US disclosed
WO-2007045370-A1 TETRAZOL DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-04-26 WO disclosed
WO-2007045366-A1 HETEROCYCLIC COMPOUNDS WITH CARBOXYL ISOSTERE GROUPS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-04-26 WO disclosed
WO-2007045433-A1 DICARBOXYLIC ACID DERIVATIVES AND THEIR USE BAYER HEALTHCARE AG (DE) 2007-04-26 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-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases TNNI3, PC, TNNT2 CYP4A11 54/4885CYP4F2 356/4885PRSS1 3333/4885
US-20090215843-A1 Tetrazole Derivatives and Their Use for the Treatment of Cardiovascular Diseases TNNI3, TNNT2, FABP3 CYP4A11 831/4885CYP4F2 183/4885PRSS1 1612/4885
US-20100029772-A1 Dicarboxylic Acid Derivatives and their Use PC, SLC25A1, GOT2 CYP4A11 1566/4885CYP4F2 672/4885PRSS1 3573/4885

“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.