SCHEMBL286513

SCHEMBL286513

Cc1c(Br)cc(F)cc1CO

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
HTR2A P28223 1/20 0.32
GAA P10253 1/20 0.32
SHBG P04278 1/20 0.31
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL26200345 0.81 AGTR1 (0.33) HTR2A
SCHEMBL12535526 0.78 CYP3A4 (0.39) SHBGPDCD1CD274
SCHEMBL286765 0.78 SHBG (0.36) PDE4APDE4BPDE4CPDE4DSHBG
SCHEMBL24458092 0.78 SHBG (0.36) CYP4F2CYP4A11PDE4APDE4BPDE4C
SCHEMBL13082486 0.78 CYP4F2 (0.35) CYP4F2CYP4A11PDE4APDE4BPDE4C
SCHEMBL332293 0.78 GAA (0.33) CYP4F2CYP4A11PDE4APDE4BPDE4C
SCHEMBL31614821 0.77 GAA (0.32) CYP4F2CYP4A11HTR2AGAA
SCHEMBL8357239 0.77 AGTR1 (0.36) GAA
SCHEMBL28144588 0.75 CYP4F2 (0.33) CYP4F2CYP4A11PDE4APDE4BPDE4C
SCHEMBL25616004 0.75 CYP4F2 (0.33) CYP4F2CYP4A11PDE4APDE4BPDE4C

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-2427444-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-12-16 EP disclosed
US-9018211-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-04-28 US disclosed
US-20140142115-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-05-22 US disclosed
US-8673920-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2014-03-18 US disclosed
CN-102459216-A Inhibitors of renal outer medullary potassium channels MERCK SHARP & DO 2012-05-16 CN disclosed
EP-2427444-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2012-03-14 EP disclosed
WO-2010129379-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2010-11-11 WO disclosed
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2010-11-11 US 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 (2 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-20140142115-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 CYP4F2 2337/4885CYP4A11 2385/4885PDE4A 1959/4885
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 CYP4F2 2337/4885CYP4A11 2385/4885PDE4A 1959/4885

“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.