SCHEMBL3528783

SCHEMBL3528783

CC(C)(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NNCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 4/20 0.50
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ATM Q13315 1/20 0.48
EPHX1 P07099 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CFD P00746 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
RIPK1 Q13546 1/20 0.44
PPID Q08752 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL13881122 0.87 L3MBTL1 (0.48) ANPEPMAPTL3MBTL1ATMEPHX1
SCHEMBL3526002 0.84 MAPT (0.56) ANPEPMAPTL3MBTL1ATMEPHX1
SCHEMBL3526717 0.84 ALDH1A1 (0.45) MAPTL3MBTL1ATMALDH1A1CYP3A4
SCHEMBL15338744 0.83 L3MBTL1 (0.55) ANPEPMAPTL3MBTL1ATMEPHX1
SCHEMBL12330833 0.82 L3MBTL1 (0.54) ANPEPMAPTL3MBTL1ATMEPHX1
SCHEMBL3527938 0.82 CTSD (0.54) ATM
SCHEMBL12467295 0.81 MAPT (0.52) ANPEPMAPTL3MBTL1ATMEPHX1
SCHEMBL3529701 0.78 RAB9A (0.40) MAPTALDH1A1KDM4ERIPK1
SCHEMBL4197742 0.76 SMN1; SMN2 (0.50) MAPTL3MBTL1ATMEPHX1SMN1; SMN2
SCHEMBL3550377 0.74 LDHA (0.46) ANPEPL3MBTL1ATMALDH1A1

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
US-7807677-B2 HIV protease inhibitors MEDIVIR AB (SE) 2010-10-05 US disclosed
US-7807677-B2 HIV protease inhibitors MEDIVIR AB (SE) 2010-10-05 US disclosed
US-7807677-B2 HIV protease inhibitors MEDIVIR AB (SE) 2010-10-05 US disclosed
EP-1851193-B1 HIV PROTEASE INHIBITORS MEDIVIR AB (SE) 2009-04-22 EP disclosed
US-20080249102-A1 Hiv Protease Inhibitors MEDIVIR AB (SE) 2008-10-09 US disclosed
US-20080249102-A1 Hiv Protease Inhibitors MEDIVIR AB (SE) 2008-10-09 US disclosed
US-20080249102-A1 Hiv Protease Inhibitors MEDIVIR AB (SE) 2008-10-09 US disclosed
WO-2007048557-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-05-03 WO disclosed
WO-2006084688-A1 HIV protease inhibitors MEDIVIR AB (SE) 2006-08-17 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-20080249102-A1 Hiv Protease Inhibitors SERPINB1, ANPEP, XPNPEP1 ANPEP 2/4885MAPT 3110/4885L3MBTL1 536/4885

“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.