SCHEMBL3945920

SCHEMBL3945920

C=CCOCC[C@@H](C)C[C@H](NC(C)=O)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
PLA2G2C Q5R387 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 2/20 0.33
PPID Q08752 1/20 0.32
CAD P27708 1/20 0.31
LMNA P02545 2/20 0.31

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
SCHEMBL3940851 1.00 TDP1 (0.39) TDP1SMN1; SMN2PLA2G2CL3MBTL1KMT2A
SCHEMBL3936241 1.00 TDP1 (0.39) TDP1SMN1; SMN2PLA2G2CL3MBTL1KMT2A
SCHEMBL3940848 1.00 TDP1 (0.39) TDP1SMN1; SMN2PLA2G2CL3MBTL1KMT2A
SCHEMBL3935138 0.81 TDP1 (0.44) TDP1SMN1; SMN2L3MBTL1KMT2APOLB
SCHEMBL11928922 0.73 PLA2G2C (0.41) SMN1; SMN2PLA2G2CL3MBTL1KMT2APOLB
SCHEMBL10255206 0.73 PLA2G2C (0.41) SMN1; SMN2PLA2G2CL3MBTL1KMT2APOLB
SCHEMBL18095072 0.73 L3MBTL1 (0.49) TDP1SMN1; SMN2L3MBTL1KMT2APOLB
SCHEMBL3184286 0.72 TAS1R3 (0.43) PLA2G2CPOLBALDH1A1
SCHEMBL3184278 0.72 TAS1R3 (0.43) PLA2G2CPOLBALDH1A1
SCHEMBL5813383 0.72 ALDH1A1 (0.60) L3MBTL1KMT2APOLBALDH1A1PPID

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-20090312370-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2009-12-17 US disclosed
EP-2046761-A2 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2009-04-15 EP disclosed
WO-2008009750-A2 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS 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-20090312370-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS BACE2, BACE1, APP TDP1 945/4885SMN1; SMN2 1039/4885PLA2G2C 1491/4885

“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.