SCHEMBL10077136

SCHEMBL10077136

CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(C(=O)N[C@H]3C[C@@H](c4nc(C(=O)c5ccc(F)cc5)cs4)N(C(=O)OC(C)(C)C)C3)cc2)C[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAA50 Q9GZZ1 7/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
HDAC4 P56524 3/20 0.38
HDAC6 Q9UBN7 2/20 0.38
MMP2 P08253 4/20 0.36
ANPEP P15144 1/20 0.36
USP30 Q70CQ3 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
DGAT2 Q96PD7 2/20 0.35

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
SCHEMBL10077029 0.88 NAA50 (0.43) NAA50NR1H2NR1H3HDAC4HDAC6
SCHEMBL28743783 0.86 NR1H2 (0.42) NAA50NR1H2NR1H3USP30
SCHEMBL10076778 0.85 NPC1 (0.37) NAA50HDAC4HDAC6
SCHEMBL10076772 0.84 NR1H2 (0.52) NAA50NR1H2NR1H3
SCHEMBL10077030 0.83 NAA50 (0.40) NAA50NR1H2NR1H3HDAC4HDAC6
SCHEMBL8775323 0.81 TRPV1 (0.47) NR1H2NR1H3USP30
SCHEMBL10075880 0.80 RIPK2 (0.36) NAA50
SCHEMBL1273365 0.78 NR1H2 (0.44) NR1H2NR1H3HDAC4HDAC6USP30
SCHEMBL1271997 0.78 NR1H2 (0.44) NR1H2NR1H3HDAC4HDAC6USP30
SCHEMBL10076391 0.76 BIRC2 (0.42)

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 2589/4885NR1H2 4833/4885NR1H3 4846/4885

“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.