SCHEMBL2289967

SCHEMBL2289967

CC(C)(C)c1ccc(COc2ccccc2C=CC(CCCCC(=O)NNC(N)=O)CCc2ccc(C#N)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
CYP2C19 P33261 1/20 0.39
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
PRSS1 P07477 1/20 0.35
CTSG P08311 1/20 0.35
CTRB1 P17538 1/20 0.35
CMA1 P23946 1/20 0.35
EPHX2 P34913 1/20 0.35
TP53 P04637 1/20 0.33

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
SCHEMBL2289961 1.00 POLB (0.39) POLBGAACYP2C19HDAC3HDAC4
SCHEMBL2295011 0.90 NPSR1 (0.38) POLBGAACYP2C19PRSS1CTSG
SCHEMBL2295005 0.90 NPSR1 (0.38) POLBGAACYP2C19PRSS1CTSG
SCHEMBL2290013 0.87 ATM (0.34) PRSS1CTSGCTRB1CMA1EPHX2
SCHEMBL2290020 0.87 ATM (0.34) PRSS1CTSGCTRB1CMA1EPHX2
SCHEMBL2293832 0.85 EPHX2 (0.41) POLBPRSS1CTSGCTRB1CMA1
SCHEMBL2293826 0.85 EPHX2 (0.41) POLBPRSS1CTSGCTRB1CMA1
SCHEMBL4495315 0.83 MAOB (0.38) POLBEPHX2XDHMEN1PKM
SCHEMBL4495322 0.83 MAOB (0.38) POLBEPHX2XDHMEN1PKM
SCHEMBL2293852 0.82 MAPT (0.43) POLBGAAHDAC6PRSS1CTSG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 POLB 3655/4885GAA 993/4885CYP2C19 402/4885

“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.