SCHEMBL10077029

SCHEMBL10077029

CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(C(=O)N[C@H]3C[C@@H](c4nc(C(=O)O)cs4)N(C(=O)OC(C)(C)C)C3)cc2)C[C@H]1c1nc(C(=O)O)cs1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAA50 Q9GZZ1 8/20 0.43
MMP2 P08253 5/20 0.40
HDAC4 P56524 3/20 0.39
HDAC6 Q9UBN7 2/20 0.39
ANPEP P15144 2/20 0.39
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 1/20 0.39
USP30 Q70CQ3 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
SCHEMBL10076772 0.88 NR1H2 (0.52) NAA50NR1H2NR1H3
SCHEMBL10077136 0.88 NAA50 (0.41) NAA50MMP2HDAC4HDAC6ANPEP
SCHEMBL10077030 0.87 NAA50 (0.40) NAA50MMP2HDAC4HDAC6ANPEP
SCHEMBL1276060 0.75 NR1H2 (0.44) NR1H2NR1H3USP30
SCHEMBL1276058 0.75 NR1H2 (0.44) NR1H2NR1H3USP30
SCHEMBL23975510 0.75 NR1H2 (0.40) NR1H2NR1H3USP30
SCHEMBL20705068 0.75 NAA50 (0.42) NAA50NR1H2NR1H3
SCHEMBL20705288 0.75 NAA50 (0.42) NAA50NR1H2NR1H3
SCHEMBL12609045 0.74 MMP2 (0.52) MMP2HDAC4HDAC6ANPEPNR1H2
SCHEMBL10076778 0.74 NPC1 (0.37) NAA50HDAC4HDAC6

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-20120009141-A1 FUNCTIONALIZED PYRROLIDINES AND USE THEREOF AS IAP INHIBITORS PHARMASCIENCE INC. (CA) 2012-01-12 US disclosed
WO-2010015090-A1 FUNCTIONALIZED PYRROLIDINES AND USE THEREOF AS IAP INHIBITORS AEGERA THERAPEUTICS INC. (CA) 2010-02-11 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-20120009141-A1 FUNCTIONALIZED PYRROLIDINES AND USE THEREOF AS IAP INHIBITORS BIRC5, BIRC7, BIRC2 NAA50 2589/4885MMP2 381/4885HDAC4 2349/4885

“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.