SCHEMBL15437255

SCHEMBL15437255

CCOC(=O)C(CC)C(=O)CBr

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
TRPA1 O75762 1/20 0.48
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 3/20 0.36
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MMP8 P22894 1/20 0.34
HPGD P15428 1/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL3142804 0.82 SOAT1 (0.44) ALDH1A1TRPA1LMNAHSD17B10GAA
SCHEMBL4715409 0.82 ALDH1A1 (0.43) ALDH1A1TRPA1LMNAHSD17B10GAA
SCHEMBL230068 0.81 ALDH1A1 (0.50) ALDH1A1TRPA1LMNAHSD17B10GAA
Ammonia Solution, Strong SCHEMBL27830684 0.79 ALDH1A1 (0.48) ALDH1A1TRPA1LMNAHSD17B10GAA
SCHEMBL26658212 0.79 ALDH1A1 (0.48) ALDH1A1TRPA1LMNAHSD17B10GAA
SCHEMBL28054134 0.79 ALDH1A1 (0.48) ALDH1A1TRPA1LMNAHSD17B10GAA
SCHEMBL28077349 0.79 ALDH1A1 (0.48) ALDH1A1TRPA1LMNAHSD17B10GAA
Hydrochloric Acid SCHEMBL27522636 0.79 ALDH1A1 (0.48) ALDH1A1TRPA1LMNAHSD17B10GAA
SCHEMBL5957161 0.78 ALDH1A1 (0.39) ALDH1A1TRPA1LMNAHSD17B10GAA
SCHEMBL23295580 0.77 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10GAAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849050-B Compound (I) 爱丁堡大学董事会 2020-10-13 CN disclosed
EP-2877471-B1 SPIRO-FUSED PIPERIDINE DERIVATIVES FOR USE AS INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2016-11-02 EP disclosed
US-9206198-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-12-08 US disclosed
EP-2877471-A1 SPIRO - FUSED PIPERIDINE DERIVATIVES FOR USE AS INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2015-06-03 EP disclosed
US-20150099729-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2015-04-09 US disclosed
US-8952166-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-02-10 US disclosed
US-20140031349-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-01-30 US disclosed
WO-2014018764-A1 SPIRO - FUSED PIPERIDINE DERIVATIVES FOR USE AS INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-01-30 WO disclosed
WO-2014015495-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-01-30 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 (2 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-20150099729-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 ALDH1A1 1750/4885TRPA1 370/4885LMNA 1200/4885
US-20140031349-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 ALDH1A1 1750/4885TRPA1 370/4885LMNA 1200/4885

“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.