SCHEMBL2293704

SCHEMBL2293704

Fc1ccc(OCc2ccccc2C(F)(F)F)c(CBr)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.46
SLC6A4 P31645 1/20 0.46
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
MAOB P27338 4/20 0.44
PTPN1 P18031 1/20 0.43
MAOA P21397 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
SGMS2 Q8NHU3 1/20 0.41
PLK1 P53350 3/20 0.39
IKBKE Q14164 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
ATM Q13315 1/20 0.39
MAP4K4 O95819 1/20 0.39
CSF1R P07333 1/20 0.39
PIM1 P11309 1/20 0.39
KDR P35968 1/20 0.39
NEK2 P51955 1/20 0.39
LIMK1 P53667 1/20 0.39
STK3 Q13188 1/20 0.39

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
SCHEMBL14774588 0.89 IDO1 (0.56) IDO1SLC6A4MRGPRX4
SCHEMBL2290014 0.86 FFAR4 (0.48) IDO1SLC6A4FFAR1FFAR4MAOB
SCHEMBL18783662 0.82 MCL1 (0.54) IDO1SLC6A4
SCHEMBL14774689 0.81 IDO1 (0.51) IDO1SLC6A4PTPN1MRGPRX4
SCHEMBL12384351 0.81 SLC6A4 (0.44) IDO1SLC6A4FFAR1FFAR4MAOB
SCHEMBL14774651 0.80 IDO1 (0.50) IDO1SLC6A4MRGPRX4
SCHEMBL14784730 0.80 MAPT (0.47) SLC6A4
Bromide SCHEMBL2296444 0.80 FFAR1 (0.43) IDO1SLC6A4FFAR1FFAR4MAOB
SCHEMBL15583063 0.78 HTR1A (0.51) FFAR1FFAR4MRGPRX4
SCHEMBL14774606 0.77 CACNA1C (0.46) SLC6A4MRGPRX4

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 10 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
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
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 IDO1 3645/4885SLC6A4 3572/4885FFAR1 2434/4885

“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.