SCHEMBL4549705

SCHEMBL4549705

N#Cc1c(F)cc(CC(=O)O)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.45
RXRA P19793 4/20 0.41
RXRG P48443 4/20 0.41
RXRB P28702 3/20 0.41
SRD5A2 P31213 1/20 0.39
AKR1B1 P15121 1/20 0.39
LMNA P02545 2/20 0.37
GAA P10253 2/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
RGS12 O14924 1/20 0.37
POLB P06746 1/20 0.37
NFKB1 P19838 1/20 0.37
APEX1 P27695 1/20 0.37
THPO P40225 1/20 0.37
BLM P54132 1/20 0.37
GNAI1 P63096 1/20 0.37

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
SCHEMBL25214537 0.81 FFAR1 (0.47) TRPV4FFAR1
SCHEMBL31552017 0.81 CACNA1H (0.39) RXRARXRGRXRBSRD5A2GAA
SCHEMBL908287 0.77 CES2 (0.46) SRD5A2AKR1B1LMNAGAATSHR
SCHEMBL23242480 0.77 THRB (0.50) RXRARXRGRXRBAKR1B1LMNA
SCHEMBL4549700 0.77 MEN1 (0.41) RXRARXRGRXRBAKR1B1LMNA
SCHEMBL297462 0.77 RXRA (0.55) TRPV4RXRARXRGRXRBSRD5A2
SCHEMBL30578193 0.77 RXRA (0.55) TRPV4RXRARXRGRXRBSRD5A2
SCHEMBL299357 0.75 GAA (0.47) RXRARXRGRXRBSRD5A2AKR1B1
SCHEMBL2801373 0.75 TRPV4 (0.52) TRPV4
SCHEMBL25941184 0.74 RXRA (0.48) RXRARXRGRXRBAKR1B1FFAR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9056859-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-16 US disclosed
EP-2632464-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-04-29 EP disclosed
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 US disclosed
WO-2012058134-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-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 TRPV4 384/4885RXRA 4125/4885RXRG 3897/4885

“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.