SCHEMBL2294533

SCHEMBL2294533

COC(=O)c1cc(F)ccc1OCC#Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.42
EGLN1 Q9GZT9 4/20 0.42
CFTR P13569 1/20 0.41
LRRK2 Q5S007 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
HPGD P15428 1/20 0.36
SLC1A5 Q15758 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
SCHEMBL2292183 0.87 EGLN1 (0.44) MRGPRX4EGLN1LRRK2KDM4EHPGD
SCHEMBL8239331 0.80 LRRK2 (0.58) MRGPRX4CFTRLRRK2KDM4EPPARG
SCHEMBL2292469 0.78 PPARA (0.51) MRGPRX4CFTRLRRK2KDM4EHTT
SCHEMBL2297293 0.78 EGLN1 (0.39) EGLN1PPARGPPARDPPARASLC1A5
SCHEMBL15273702 0.76 MAOA (0.45) HTTKMT2AFFAR4HPGD
SCHEMBL2292463 0.75 SLC1A5 (0.37) EGLN1PPARGPPARDPPARASLC1A5
SCHEMBL14252071 0.72 CFTR (0.56) EGLN1CFTRKDM4E
SCHEMBL2610714 0.71 CHEK1 (0.47) HTTKMT2AFFAR4HPGD
SCHEMBL2294409 0.71 FFAR4 (0.56) LRRK2HTTKMT2AFFAR4
SCHEMBL3507098 0.70 MRGPRX4 (0.42) MRGPRX4EGLN1PPARDPPARASLC1A5

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 5 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-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 MRGPRX4 3289/4885EGLN1 718/4885CFTR 1775/4885

“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.