SCHEMBL2725596

SCHEMBL2725596

COc1c(C#N)ccc(CC(=O)O)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.39
HSD17B10 Q99714 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
HPGD P15428 1/20 0.37
MEP1B Q16820 2/20 0.36
MMP2 P08253 2/20 0.35
MMP8 P22894 2/20 0.35
MMP12 P39900 2/20 0.35
MMP13 P45452 2/20 0.35
MMP14 P50281 2/20 0.35
MMP16 P51512 2/20 0.35
AOC3 Q16853 3/20 0.35
ALDH1A1 P00352 1/20 0.35
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
IMPDH1 P20839 1/20 0.34
CXCL8 P10145 1/20 0.34
STING1 Q86WV6 1/20 0.34

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
SCHEMBL14782556 0.88 IMPDH2 (0.39) IMPDH2HSD17B10RXRARXRBRXRG
SCHEMBL2724472 0.84 IMPDH2 (0.45) IMPDH2HSD17B10RXRARXRBRXRG
SCHEMBL14948935 0.83 AR (0.36) IMPDH2MEP1BAOC3ALDH1A1IMPDH1
SCHEMBL2722877 0.82 HPGD (0.43) IMPDH2HSD17B10RXRARXRBRXRG
SCHEMBL15196732 0.81 RXRA (0.42) RXRARXRBRXRGMMP2MMP12
SCHEMBL14856242 0.80 MEP1B (0.54) HSD17B10MEP1BMMP2MMP8MMP12
SCHEMBL15210186 0.79 HTR2A (0.34) IMPDH2MEP1BAOC3ALDH1A1IMPDH1
SCHEMBL10618516 0.78 HSD17B10 (0.53) HSD17B10HPGDMEP1BALDH1A1CXCL8
SCHEMBL2723198 0.78 IMPDH2 (0.37) IMPDH2MEP1BAOC3ALDH1A1IMPDH1
SCHEMBL2724485 0.77 RXRA (0.40) IMPDH2RXRARXRBRXRGFFAR1

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 IMPDH2 1954/4885HSD17B10 3028/4885RXRA 4173/4885

“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.