SCHEMBL2297366

SCHEMBL2297366

CC(C)(C)c1ccc(COc2ccccc2/C=C/C(CCc2ccc(C#N)cc2)Cc2ccc(C(=O)NNC(=N)N)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
CTSG P08311 2/20 0.39
PRSS1 P07477 1/20 0.39
CTRB1 P17538 1/20 0.39
CMA1 P23946 1/20 0.39
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
CCR5 P51681 1/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
BLM P54132 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMPD1 P17405 1/20 0.34
CYP19A1 P11511 1/20 0.34
ADAM17 P78536 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
SCHEMBL2293826 0.95 EPHX2 (0.41) EPHX2CTSGPRSS1CTRB1CMA1
SCHEMBL2293832 0.95 EPHX2 (0.41) EPHX2CTSGPRSS1CTRB1CMA1
SCHEMBL2294408 0.93 EPHX2 (0.39) EPHX2CTSGPRSS1CTRB1CMA1
SCHEMBL2294415 0.93 EPHX2 (0.39) EPHX2CTSGPRSS1CTRB1CMA1
SCHEMBL2293852 0.92 MAPT (0.43) EPHX2CTSGPRSS1CTRB1CMA1
SCHEMBL2293858 0.92 MAPT (0.43) EPHX2CTSGPRSS1CTRB1CMA1
SCHEMBL2290418 0.89 TP53 (0.47) EPHX2CTSGPRSS1CTRB1CMA1
SCHEMBL2290407 0.89 TP53 (0.47) EPHX2CTSGPRSS1CTRB1CMA1
SCHEMBL2295707 0.89 TP53 (0.47) EPHX2CTSGPRSS1CTRB1CMA1
SCHEMBL2295713 0.89 TP53 (0.47) EPHX2CTSGPRSS1CTRB1CMA1

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 7 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
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

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-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases TNNI3, PC, TNNT2 EPHX2 1561/4885CTSG 1805/4885PRSS1 3333/4885

“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.