SCHEMBL10078885

SCHEMBL10078885

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

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
ACE P12821 8/20 0.51
EPHX2 P34913 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MME P08473 1/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
LMNA P02545 1/20 0.48

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 0.86 ACE (0.59) RAB9ANPC1ACEMMELMNA
SCHEMBL19885992 0.85 NPC1 (0.54) RAB9ANPC1ACEMME
SCHEMBL11964372 0.84 CYP3A4 (0.65) RAB9ANPC1SMN1; SMN2ACEEPHX2
SCHEMBL15222315 0.81 MME (0.67) ACEMMECPA1ACE2
SCHEMBL22515871 0.80 ACE (0.53) RAB9ANPC1ACE
SCHEMBL19888905 0.80 ACE (0.53) RAB9ANPC1ACE
SCHEMBL15222230 0.80 MMP2 (0.58) ACEALDH1A1MMECPA1ACE2
SCHEMBL21287068 0.79 ACE (0.45) RAB9ANPC1ACE
SCHEMBL15222234 0.79 ALDH1A1 (0.56) ACEALDH1A1MMECPA1ACE2
SCHEMBL15222314 0.78 MME (0.71) ACEMME

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 RAB9A 1348/4885NPC1 2490/4885SMN1; SMN2 2452/4885

“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.