SCHEMBL3526002

SCHEMBL3526002

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ATM Q13315 1/20 0.54
EPHX1 P07099 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ANPEP P15144 4/20 0.52
ALDH1A1 P00352 2/20 0.51
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
RIPK1 Q13546 1/20 0.50
PPID Q08752 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL15338744 0.89 L3MBTL1 (0.55) MAPTL3MBTL1ATMEPHX1SMN1; SMN2
SCHEMBL12330833 0.88 L3MBTL1 (0.54) MAPTL3MBTL1ATMEPHX1SMN1; SMN2
SCHEMBL12467295 0.87 MAPT (0.52) MAPTL3MBTL1ATMEPHX1SMN1; SMN2
SCHEMBL4197742 0.85 SMN1; SMN2 (0.50) MAPTL3MBTL1ATMEPHX1SMN1; SMN2
SCHEMBL3528783 0.84 ANPEP (0.50) MAPTL3MBTL1ATMEPHX1SMN1; SMN2
SCHEMBL13881122 0.82 L3MBTL1 (0.48) MAPTL3MBTL1ATMEPHX1SMN1; SMN2
SCHEMBL30817744 0.80 HCRTR2 (0.48) MAPTL3MBTL1SMN1; SMN2ALDH1A1TSHR
SCHEMBL7206283 0.79 MAPK1 (0.76) MAPTL3MBTL1ATMSMN1; SMN2ANPEP
SCHEMBL5175905 0.79 MAPK1 (0.76) MAPTL3MBTL1ATMSMN1; SMN2ANPEP
SCHEMBL6445570 0.79 MAPK1 (0.76) MAPTL3MBTL1ATMSMN1; SMN2ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1396492-B1 Prodrug of an ice inhibitor VERTEX PHARMA (US) 2012-02-01 EP 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
EP-1851193-A1 HIV PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-11-07 EP 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 MAPT 3110/4885L3MBTL1 536/4885ATM 3366/4885

“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.