SCHEMBL2293260

SCHEMBL2293260

COC(=O)c1ccc(CC(CCCCC#N)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 8/20 0.52
CYP4A11 Q02928 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
CYP4F2 P78329 1/20 0.43
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
PPARG P37231 4/20 0.41
PPARA Q07869 2/20 0.39
PPARD Q03181 1/20 0.39
EPHX2 P34913 1/20 0.38
CPA3 P15088 1/20 0.38

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
SCHEMBL2292889 0.89 MMP2 (0.50) FOLH1CYP4A11LOXL2CYP4F2MMP2
SCHEMBL9442211 0.83 FOLH1 (0.53) FOLH1CYP4A11LOXL2CYP4F2MMP2
SCHEMBL8242244 0.82 CYP4A11 (0.48) FOLH1CYP4A11LOXL2CYP4F2MMP2
SCHEMBL2294317 0.82 CYP4A11 (0.47) CYP4A11LOXL2CYP4F2
SCHEMBL6000361 0.82 FOLH1 (0.54) FOLH1CYP4A11LOXL2CYP4F2MMP2
SCHEMBL2294361 0.81 CYP4A11 (0.43) CYP4A11LOXL2CYP4F2
SCHEMBL2490447 0.81 CYP4A11 (0.54) FOLH1CYP4A11LOXL2CYP4F2MMP2
SCHEMBL2297709 0.80 PRSS1 (0.47) FOLH1CYP4A11LOXL2CYP4F2MMP2
SCHEMBL2290447 0.80 PRSS1 (0.47) FOLH1CYP4A11LOXL2CYP4F2MMP2
SCHEMBL3600574 0.80 FOLH1 (0.51) FOLH1CYP4A11LOXL2CYP4F2PPARG

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 8 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
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 (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 FOLH1 4231/4885CYP4A11 54/4885LOXL2 3021/4885

“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.