SCHEMBL10060281

SCHEMBL10060281

CC(C)C[C@H](C)NC(=O)[C@H](CCc1ccccc1)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
HTT P42858 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.50
MMP3 P08254 2/20 0.49
ACE P12821 6/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 1/20 0.48
ANPEP P15144 1/20 0.47
MMP2 P08253 1/20 0.46

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
SCHEMBL10060253 0.85 ACE (0.59) MMP3ACENPC1RAB9AMMP2
SCHEMBL10078882 0.85 TSHR (0.65) SMN1; SMN2KMT2AMEN1HTTHPGD
SCHEMBL23616381 0.85 TSHR (0.65) SMN1; SMN2KMT2AMEN1HTTHPGD
SCHEMBL21040564 0.81 CPA1 (0.57) SMN1; SMN2KMT2AMEN1HTTHPGD
SCHEMBL23616270 0.79 SMN1; SMN2 (0.50) SMN1; SMN2KMT2AMEN1HTTHPGD
SCHEMBL26646315 0.77 MMP1 (0.55) MMP3ALDH1A1MMP2
SCHEMBL584516 0.76 TSHR (0.54) SMN1; SMN2KMT2AMEN1HTTHPGD
SCHEMBL14338210 0.75 SMN1; SMN2 (0.69) SMN1; SMN2KMT2AMEN1HTTHPGD
SCHEMBL23616296 0.75 CTSS (0.67)
SCHEMBL23616295 0.75 CTSS (0.67)

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-8163792-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2012-04-24 US disclosed
US-20090192140-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS INC. (CA) 2009-07-30 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-20090192140-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 SMN1; SMN2 2452/4885KMT2A 3594/4885MEN1 2117/4885

“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.