SCHEMBL2295005

SCHEMBL2295005

CC(C)(C)c1ccc(COc2ccccc2/C=C/C(CCCCC(=O)O)CCc2ccc(C#N)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
PRSS1 P07477 1/20 0.37
CTSG P08311 1/20 0.37
CTRB1 P17538 1/20 0.37
CMA1 P23946 1/20 0.37
FFAR1 O14842 5/20 0.36
FFAR4 Q5NUL3 2/20 0.36
XDH P47989 1/20 0.36
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PPARD Q03181 2/20 0.36
GAA P10253 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
SCHEMBL2295011 1.00 NPSR1 (0.38) NPSR1PRSS1CTSGCTRB1CMA1
SCHEMBL4495322 0.93 MAOB (0.38) NPSR1FFAR1FFAR4XDHPTGER1
SCHEMBL4495315 0.93 MAOB (0.38) NPSR1FFAR1FFAR4XDHPTGER1
SCHEMBL2290020 0.91 ATM (0.34) NPSR1PRSS1CTSGCTRB1CMA1
SCHEMBL2290013 0.91 ATM (0.34) NPSR1PRSS1CTSGCTRB1CMA1
SCHEMBL2289967 0.90 POLB (0.39) PRSS1CTSGCTRB1CMA1XDH
SCHEMBL2289961 0.90 POLB (0.39) PRSS1CTSGCTRB1CMA1XDH
SCHEMBL2293675 0.85 RXRA (0.45) PRSS1CTSGCTRB1CMA1XDH
SCHEMBL2292394 0.85 RXRA (0.45) PRSS1CTSGCTRB1CMA1XDH
SCHEMBL2293682 0.85 RXRA (0.45) PRSS1CTSGCTRB1CMA1XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-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
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

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-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases TNNI3, PC, TNNT2 NPSR1 2622/4885PRSS1 3333/4885CTSG 1805/4885
US-20090215843-A1 Tetrazole Derivatives and Their Use for the Treatment of Cardiovascular Diseases TNNI3, TNNT2, FABP3 NPSR1 2722/4885PRSS1 1612/4885CTSG 1721/4885

“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.