SCHEMBL286609

SCHEMBL286609

COc1cc(OC(C)=O)c(F)cc1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFSF11 O14788 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
MAOB P27338 1/20 0.40
TSHR P16473 1/20 0.40
IMPDH2 P12268 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
AR P10275 4/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
PGR P06401 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
STING1 Q86WV6 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR2A P28223 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
SCHEMBL3425063 0.83 KDM4E (0.48) ALDH1A1IMPDH2KDM4EUSP2AR
SCHEMBL2730105 0.81 STING1 (0.42) ALDH1A1IMPDH2KDM4EARS1PR1
SCHEMBL2898377 0.78 SLC22A12 (0.38) ALDH1A1IMPDH2KDM4EUSP2AR
SCHEMBL286978 0.77 KDM4E (0.50) ALDH1A1IMPDH2KDM4EUSP2AR
SCHEMBL2723599 0.76 AR (0.56) ALDH1A1IMPDH2KDM4EUSP2AR
SCHEMBL2773446 0.76 LCK (0.45) ALDH1A1IMPDH2KDM4EUSP2LMNA
SCHEMBL2806797 0.75 GAA (0.48) ALDH1A1IMPDH2KDM4EUSP2AR
SCHEMBL10493592 0.75 AR (0.50) ALDH1A1IMPDH2KDM4EUSP2AR
SCHEMBL18671538 0.74 PDE4A (0.46) ALDH1A1IMPDH2KDM4EUSP2AR
SCHEMBL8728263 0.74 ALDH1A1 (0.48) ALDH1A1MAOBTSHRIMPDH2KDM4E

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2934533-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2017-11-15 EP disclosed
EP-2956142-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2017-09-20 EP disclosed
US-9604998-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-03-28 US disclosed
US-9573961-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-02-21 US disclosed
EP-2755656-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2016-09-07 EP disclosed
US-20160002259-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2016-01-07 US disclosed
EP-2956142-A2 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2015-12-23 EP disclosed
EP-2427444-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-12-16 EP disclosed
US-20150329557-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME CORP. (US) 2015-11-19 US disclosed
EP-2934533-A2 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2015-10-28 EP disclosed
EP-2632464-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-04-29 EP disclosed
WO-2014126944-A2 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-08-21 WO disclosed
EP-2755656-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2014-07-23 EP disclosed
WO-2014099633-A2 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-06-26 WO disclosed
EP-2632464-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 US disclosed
WO-2013039802-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-03-21 WO disclosed
WO-2012058134-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 TNFSF11 1704/4885ALDH1A1 1549/4885CYP4F2 2500/4885
US-20150329557-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 TNFSF11 1643/4885ALDH1A1 1750/4885CYP4F2 2723/4885
US-20160002259-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 TNFSF11 1258/4885ALDH1A1 2114/4885CYP4F2 2786/4885

“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.