SCHEMBL286608

SCHEMBL286608

COc1cc(CC(=O)O)c(F)cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTR2A P28223 2/20 0.43
HPGD P15428 1/20 0.43
GAA P10253 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
KCNJ1 P48048 3/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
HTR2C P28335 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
IMPDH2 P12268 1/20 0.38

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
SCHEMBL15647179 0.88 HSD17B10 (0.44) STING1HSD17B10HTR2AHPGDGAA
SCHEMBL14126011 0.82 MTNR1A (0.54) HSD17B10GAANPSR1ALDH1A1MTNR1A
SCHEMBL2724428 0.82 HPGD (0.49) STING1HSD17B10HTR2AHPGDGAA
SCHEMBL2730017 0.82 HSD17B10 (0.48) STING1HSD17B10HTR2AHPGDGAA
SCHEMBL2723062 0.81 TRPV4 (0.44) PTGDR2TSHRTDP1
SCHEMBL30154501 0.81 TRPV4 (0.44) PTGDR2TSHRTDP1
SCHEMBL286652 0.79 HTR2A (0.48) HTR2AALDH1A1KCNJ1HTR2C
SCHEMBL4023259 0.78 GAA (0.53) HSD17B10HPGDGAANPSR1ALDH1A1
SCHEMBL3409461 0.78 HSD17B10 (0.51) STING1HSD17B10GAANPSR1ALDH1A1
SCHEMBL30053264 0.78 HSD17B10 (0.51) STING1HSD17B10GAANPSR1ALDH1A1

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 44 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-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
US-9573961-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-02-21 US disclosed
US-9527830-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2016-12-27 US disclosed
US-9527830-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2016-12-27 US disclosed
US-9527830-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2016-12-27 US disclosed
EP-2755656-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2016-09-07 EP disclosed
US-20130225561-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2013-08-29 US disclosed
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 US 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-2013039802-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-03-21 WO disclosed
WO-2012058116-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 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
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 (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 STING1 4113/4885HSD17B10 3153/4885HTR2A 2934/4885
US-20130225561-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 STING1 4142/4885HSD17B10 3028/4885HTR2A 3252/4885
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 STING1 4142/4885HSD17B10 3028/4885HTR2A 3252/4885

“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.