SCHEMBL6466893

SCHEMBL6466893

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BTK Q06187 1/20 0.39
EPHX1 P07099 2/20 0.36
NAAA Q02083 3/20 0.36
CTSK P43235 3/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ASAH1 Q13510 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
SCHEMBL6466895 1.00 GAA (0.41) GAAMAPK1HTTSMN1; SMN2BTK
SCHEMBL31246152 0.85 BTK (0.50) GAAMAPK1BTKCTSKKMT2A
SCHEMBL12962474 0.83 GAA (0.43) GAAMAPK1HTTSMN1; SMN2BTK
SCHEMBL6466853 0.83 BTK (0.58) GAAMAPK1HTTSMN1; SMN2BTK
SCHEMBL6466849 0.83 BTK (0.58) GAAMAPK1HTTSMN1; SMN2BTK
SCHEMBL14750990 0.79 BTK (0.49) GAAMAPK1BTKEPHX1CTSK
SCHEMBL3645025 0.78 GAA (0.48) GAAMAPK1HTTSMN1; SMN2EPHX1
SCHEMBL12640942 0.77 NAAA (0.43) GAAMAPK1HTTSMN1; SMN2EPHX1
SCHEMBL31402056 0.76 BTK (0.43) GAAMAPK1BTKEPHX1CTSK
SCHEMBL31402082 0.76 BTK (0.43) GAAMAPK1BTKEPHX1CTSK

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 GAA 3461/4885MAPK1 2517/4885HTT 4340/4885

“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.