SCHEMBL3934896

SCHEMBL3934896

C=CCOCCC[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
CTSK P43235 13/20 0.39
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CTSL P07711 2/20 0.36
CTSS P25774 2/20 0.36
CTSB P07858 1/20 0.36
CAPN1 P07384 1/20 0.35
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 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
SCHEMBL3935052 0.93 SMN1; SMN2 (0.44) SMN1; SMN2CTSKNFKB1NFKB2RELA
SCHEMBL7541004 0.84 SMN1; SMN2 (0.48) SMN1; SMN2CTSKNFKB1NFKB2RELA
SCHEMBL28659964 0.84 SMN1; SMN2 (0.48) SMN1; SMN2CTSKNFKB1NFKB2RELA
SCHEMBL3194820 0.83 CTSK (0.43) SMN1; SMN2CTSKNFKB1NFKB2RELA
SCHEMBL3194826 0.83 CTSK (0.43) SMN1; SMN2CTSKNFKB1NFKB2RELA
SCHEMBL3935163 0.82 SMN1; SMN2 (0.42) SMN1; SMN2CTSKCTSLCTSSCTSB
SCHEMBL2245259 0.82 SMN1; SMN2 (0.47) SMN1; SMN2CTSKCTSLCTSSCTSB
SCHEMBL2239241 0.82 SMN1; SMN2 (0.47) SMN1; SMN2CTSKCTSLCTSSCTSB
SCHEMBL1645916 0.81 SMN1; SMN2 (0.45) SMN1; SMN2CTSKCTSSITGB3ITGA2B
SCHEMBL1645920 0.81 SMN1; SMN2 (0.45) SMN1; SMN2CTSKCTSSITGB3ITGA2B

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-20090170878-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2009-07-02 US disclosed
EP-2046760-A1 MACROCYCLIC LACTAMS Novartis AG (CH) 2009-04-15 EP disclosed
WO-2008009734-A1 MACROCYCLIC LACTAMS NOVARTIS AG (CH) 2008-01-24 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-20090170878-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS BACE2, BACE1, APP SMN1; SMN2 1039/4885CTSK 57/4885NFKB1 339/4885

“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.