SCHEMBL2292183

SCHEMBL2292183

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 4/20 0.44
MPO P05164 1/20 0.41
MRGPRX4 Q96LA9 6/20 0.40
LRRK2 Q5S007 2/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC1A5 Q15758 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
SCHEMBL2294533 0.87 MRGPRX4 (0.42) EGLN1MRGPRX4LRRK2KDM4EHPGD
SCHEMBL2297293 0.81 EGLN1 (0.39) EGLN1PTGDR2HSD17B10SLC1A5
SCHEMBL2292463 0.81 SLC1A5 (0.37) EGLN1PTGDR2RARARARBRARG
SCHEMBL8243758 0.79 LRRK2 (0.58) MRGPRX4LRRK2
SCHEMBL3507098 0.77 MRGPRX4 (0.42) EGLN1MRGPRX4SLC1A5
SCHEMBL3509471 0.77 MRGPRX4 (0.41) EGLN1MRGPRX4SLC1A5
SCHEMBL3511521 0.76 EGLN1 (0.48) EGLN1MRGPRX4KDM4EALDH1A1
SCHEMBL3506143 0.76 EGLN1 (0.39) EGLN1MRGPRX4SLC1A5
SCHEMBL3507577 0.76 MRGPRX4 (0.44) EGLN1MRGPRX4PTGDR2SLC1A5
SCHEMBL20521864 0.75 KDM4E (0.51) MPOMRGPRX4KDM4EALDH1A1

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-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
EP-1940811-A1 HETEROCYCLIC COMPOUNDS WITH CARBOXYL ISOSTERE GROUPS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2008-07-09 EP 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 EGLN1 718/4885MPO 735/4885MRGPRX4 3289/4885

“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.