SCHEMBL5578427

SCHEMBL5578427

C[C@@H](NC(O)[C@@H](c1cccc2ccccc12)[C@H](Cc1ccccc1)NC(=O)O)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.52
METAP1 P53582 3/20 0.52
EPHX2 P34913 2/20 0.49
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
OPRM1 P35372 2/20 0.44
OPRD1 P41143 2/20 0.44
OPRK1 P41145 2/20 0.44
ACP3 P15309 1/20 0.43
PSMB5 P28074 2/20 0.42

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
SCHEMBL7612959 0.82 METAP2 (0.49) METAP2METAP1EPHX2LMNAGAA
SCHEMBL7612965 0.82 METAP2 (0.49) METAP2METAP1EPHX2LMNAGAA
SCHEMBL8518963 0.76 LMNA (0.61) METAP2METAP1EPHX2LMNAGAA
SCHEMBL2934798 0.76 LMNA (0.61) METAP2METAP1EPHX2LMNAGAA
SCHEMBL7263715 0.76 LMNA (0.61) METAP2METAP1EPHX2LMNAGAA
SCHEMBL6891376 0.75 METAP2 (0.49) METAP2METAP1EPHX2LMNAGAA
SCHEMBL3356973 0.73 METAP2 (0.61) METAP2METAP1EPHX2LMNAGAA
Trifluoroacetic Acid SCHEMBL3338958 0.71 HDAC3 (0.60) METAP2METAP1EPHX2LMNAGAA
SCHEMBL6193303 0.71 NPC1 (0.56) LMNA
SCHEMBL3627449 0.71 NPC1 (0.56) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 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-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP METAP2 1100/4885METAP1 489/4885EPHX2 3436/4885

“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.