SCHEMBL6466849

SCHEMBL6466849

CCCCOC(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.58
EPHX1 P07099 3/20 0.48
GAA P10253 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
EPHX2 P34913 2/20 0.41
CTSK P43235 2/20 0.39
NAAA Q02083 2/20 0.39
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDM1A O60341 1/20 0.38
MAOB P27338 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
SCHEMBL6466853 1.00 BTK (0.58) BTKEPHX1GAAMAPK1HTT
SCHEMBL16146100 0.90 GAA (0.54) EPHX1GAAMAPK1HTTSMN1; SMN2
SCHEMBL12962474 0.86 GAA (0.43) BTKEPHX1GAAMAPK1HTT
SCHEMBL16810640 0.86 GAA (0.50) BTKEPHX1GAAMAPK1HTT
SCHEMBL26677284 0.84 EPHX1 (0.59) EPHX1GAAMAPK1HTTSMN1; SMN2
SCHEMBL7210932 0.84 BTK (0.78) BTKEPHX1GAAKMT2AL3MBTL1
SCHEMBL14502820 0.84 BTK (0.78) BTKEPHX1GAAKMT2AL3MBTL1
SCHEMBL7212396 0.84 BTK (0.78) BTKEPHX1GAAKMT2AL3MBTL1
SCHEMBL7205713 0.84 BTK (0.78) BTKEPHX1GAAKMT2AL3MBTL1
SCHEMBL6466893 0.83 GAA (0.41) BTKEPHX1GAAMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451285-B1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2016-01-13 EP disclosed
US-9029377-B2 Platelet-activating factor receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-05-12 US disclosed
US-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2012-05-03 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 (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-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS PTAFR, PAFAH1B2, PAFAH1B3 BTK 432/4885EPHX1 359/4885GAA 3461/4885

“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.