SCHEMBL13760872

SCHEMBL13760872

CCC(C)[C@@](C)(CC=O)C(=O)N[C@@H](CCc1ccccc1)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 2/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.39
CYP2C9 P11712 2/20 0.39

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
SCHEMBL8060239 1.00 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1HPGDMAPK1KDM4E
SCHEMBL14156210 1.00 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1HPGDMAPK1KDM4E
SCHEMBL13760873 0.91 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1HPGDMAPK1KDM4E
SCHEMBL14156234 0.91 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1HPGDMAPK1KDM4E
SCHEMBL8047901 0.91 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1HPGDMAPK1KDM4E
SCHEMBL12778184 0.81 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1HPGDMAPK1KDM4E
SCHEMBL14163095 0.81 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1HPGDMAPK1KDM4E
SCHEMBL12778181 0.76 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1HPGDMAPK1KDM4E
SCHEMBL8060277 0.75 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL13760878 0.75 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557137-B2 Gamma-lactams as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 US disclosed
US-20070265331-A1 Novel gamma-lactams as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-15 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-20070265331-A1 Novel gamma-lactams as beta-secretase inhibitors BACE1, APP, BACE2 SMN1; SMN2 1825/4885ALDH1A1 2416/4885HPGD 2418/4885

“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.