SCHEMBL3601072

SCHEMBL3601072

C[Si](C)(C)CCOC(=O)CNC[C@H](CC1CCCCC1)NC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
MGLL Q99685 2/20 0.38
NAAA Q02083 1/20 0.38
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 4/20 0.36
BCL9 O00512 1/20 0.36
CTNNB1 P35222 1/20 0.36
MAPT P10636 2/20 0.35
EPHX1 P07099 1/20 0.35
ADAMTS4 O75173 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
FAAH O00519 1/20 0.34
MEN1 O00255 3/20 0.34
CTSS P25774 1/20 0.34
GAA P10253 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 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
SCHEMBL3601068 1.00 L3MBTL1 (0.40) L3MBTL1MGLLNAAAALDH1A1SMN1; SMN2
SCHEMBL3604530 0.83 L3MBTL1 (0.40) L3MBTL1MGLLNAAAALDH1A1SMN1; SMN2
SCHEMBL3604532 0.83 L3MBTL1 (0.40) L3MBTL1MGLLNAAAALDH1A1SMN1; SMN2
SCHEMBL4969726 0.79 MGLL (0.38) L3MBTL1MGLLNAAAALDH1A1SMN1; SMN2
SCHEMBL12920133 0.79 L3MBTL1 (0.39) L3MBTL1MGLLNAAAALDH1A1SMN1; SMN2
SCHEMBL5511617 0.78 MGLL (0.53) L3MBTL1MGLLNAAAALDH1A1SMN1; SMN2
SCHEMBL4969719 0.78 MEN1 (0.39) L3MBTL1MGLLALDH1A1SMN1; SMN2KMT2A
SCHEMBL13256223 0.77 MGLL (0.49) L3MBTL1MGLLNAAAALDH1A1SMN1; SMN2
SCHEMBL5505931 0.76 MGLL (0.46) L3MBTL1MGLLNAAAALDH1A1SMN1; SMN2
SCHEMBL13503017 0.76 KMT2A (0.44) L3MBTL1MGLLNAAAALDH1A1SMN1; SMN2

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
US-8487108-B2 Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-07-16 US disclosed
EP-1966139-B1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS INC (US) 2011-12-21 EP disclosed
US-20100048636-A1 Aspartic Protease Inhibitors VITAE PHARMACEUTICALS, INC. 2010-02-25 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-20100048636-A1 Aspartic Protease Inhibitors DNPEP, PEPD, SERPINB1 L3MBTL1 3699/4885MGLL 1252/4885NAAA 191/4885

“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.