SCHEMBL2292463

SCHEMBL2292463

Fc1ccc(OCC#Cc2ccc(C(F)(F)F)cc2)c(CBr)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC1A5 Q15758 3/20 0.37
EGLN1 Q9GZT9 2/20 0.36
SLC6A4 P31645 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PPARD Q03181 3/20 0.33
CASR P41180 2/20 0.32
PTPN1 P18031 1/20 0.32
MAOB P27338 1/20 0.32
AOC3 Q16853 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31

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
SCHEMBL2297293 0.88 EGLN1 (0.39) SLC1A5EGLN1SLC6A4HRH3PPARD
SCHEMBL12384391 0.81 SLC1A5 (0.37) SLC1A5EGLN1SLC6A4HRH3PPARD
SCHEMBL2292183 0.81 EGLN1 (0.44) SLC1A5EGLN1PTGDR2RARARARB
Bromide SCHEMBL2293888 0.80 SLC1A5 (0.38) SLC1A5EGLN1SLC6A4HRH3PPARD
SCHEMBL2294533 0.75 MRGPRX4 (0.42) SLC1A5EGLN1PPARDPPARGPPARA
SCHEMBL14774607 0.73 IDO1 (0.51) PPARD
SCHEMBL2289020 0.71 CASR (0.41) SLC6A4CASR
SCHEMBL14774588 0.68 IDO1 (0.56) SLC6A4PPARDPPARA
SCHEMBL2297359 0.68 KIF11 (0.44) PTPN1MAOBAOC3
SCHEMBL18363029 0.68 EGLN1 (0.47) EGLN1MAOBAOC3

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-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 SLC1A5 3521/4885EGLN1 718/4885SLC6A4 3572/4885

“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.