SCHEMBL4603133

SCHEMBL4603133

Fc1ccc(OC(F)(F)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.39
SLC6A4 P31645 2/20 0.39
KIF11 P52732 1/20 0.39
CASR P41180 6/20 0.35
BACE1 P56817 2/20 0.35
NR3C2 P08235 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
PPARD Q03181 1/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
AGXT P21549 1/20 0.32
PKM P14618 1/20 0.32
ALOX5 P09917 1/20 0.32
PSEN1 P49768 1/20 0.32

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
SCHEMBL4547677 0.84 PPARD (0.44) SLC6A4PPARDALOX5PSEN1
SCHEMBL2289020 0.79 CASR (0.41) HTR2ASLC6A4KIF11CASRBACE1
SCHEMBL2294860 0.79 CASR (0.41) HTR2ASLC6A4KIF11CASRBACE1
Bromide SCHEMBL2292736 0.78 HTR2A (0.38) HTR2ASLC6A4KIF11CASRBACE1
SCHEMBL4547664 0.78 CYP11B1 (0.45) SLC6A4PPARDALOX5PSEN1
SCHEMBL12384391 0.76 SLC1A5 (0.37) HTR2ASLC6A4PPARDPTGDR2
SCHEMBL12384370 0.75 PTPN1 (0.43) PPARD
SCHEMBL12384331 0.72 PTPN1 (0.45) KIF11PPARDALOX5PSEN1
SCHEMBL12384381 0.72 MAOB (0.42) PPARDPKM
SCHEMBL12384351 0.71 SLC6A4 (0.44) SLC6A4PTGDR2PKM

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 HTR2A 2615/4885SLC6A4 3572/4885KIF11 4835/4885

“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.