SCHEMBL2722804

SCHEMBL2722804

N#Cc1cc(F)c(CC(=O)O)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.38
RXRG P48443 2/20 0.38
RXRB P28702 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.36
TRPV4 Q9HBA0 1/20 0.35
FFAR1 O14842 3/20 0.33
FFAR4 Q5NUL3 3/20 0.33
AKR1B1 P15121 2/20 0.33
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
NOS2 P35228 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
CNR2 P34972 1/20 0.31
S1PR1 P21453 1/20 0.31
KHK P50053 1/20 0.31
SLC22A12 Q96S37 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
SCHEMBL14782652 0.82 HPGD (0.39) RXRARXRGRXRBPTGDR2FFAR1
SCHEMBL29009868 0.77 CA1 (0.40) FFAR1FFAR4AKR1B1CES2CES1
SCHEMBL23287023 0.77 RXRA (0.37) RXRARXRGRXRBPTGDR2FFAR1
SCHEMBL29474722 0.77 RXRA (0.37) RXRARXRGRXRBPTGDR2FFAR1
SCHEMBL8300824 0.76 RXRA (0.41) RXRARXRGRXRBPTGDR2TRPV4
SCHEMBL2732572 0.75 TRPV4 (0.37) TRPV4KHK
SCHEMBL25990887 0.74 TRPV4 (0.39) TRPV4KHK
SCHEMBL2723062 0.74 TRPV4 (0.44) RXRARXRGRXRBPTGDR2TRPV4
SCHEMBL30154501 0.74 TRPV4 (0.44) RXRARXRGRXRBPTGDR2TRPV4
SCHEMBL2726015 0.74 TRPV4 (0.36) TRPV4KHK

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-2632465-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-12-30 EP disclosed
US-9073882-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-07-07 US disclosed
EP-2632465-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
US-20130225561-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2013-08-29 US disclosed
WO-2012058116-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 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-20130225561-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 RXRA 4173/4885RXRG 3978/4885RXRB 4036/4885

“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.