SCHEMBL12733455

SCHEMBL12733455

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 1/20 0.52
MMP9 P14780 3/20 0.41
MMP8 P22894 3/20 0.41
MMP2 P08253 2/20 0.41
CACNA1B Q00975 2/20 0.40
MAPT P10636 1/20 0.40
FOLH1 Q04609 2/20 0.38
MMP14 P50281 1/20 0.37
KISS1R Q969F8 3/20 0.36
MME P08473 2/20 0.36
LAP3 P28838 2/20 0.36

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
SCHEMBL19498585 1.00 ALDH1A1 (0.52) ALDH1A1MEN1LMNAKMT2AMMP9
SCHEMBL17305535 0.83 ALDH1A1 (0.62) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL21895921 0.83 MMP2 (0.58) ALDH1A1MEN1LMNAKMT2AMMP9
SCHEMBL31116669 0.83 ALDH1A1 (0.62) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL31634304 0.83 ALDH1A1 (0.62) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL12393791 0.82 MMP9 (0.51) ALDH1A1MEN1LMNAKMT2AMMP9
SCHEMBL13833235 0.82 MMP9 (0.51) ALDH1A1MEN1LMNAKMT2AMMP9
SCHEMBL12226978 0.82 MMP9 (0.51) ALDH1A1MEN1LMNAKMT2AMMP9
SCHEMBL17948521 0.82 ALDH1A1 (0.46) ALDH1A1MEN1LMNAKMT2AMMP9
SCHEMBL22475309 0.82 ALDH1A1 (0.46) ALDH1A1MEN1LMNAKMT2AMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440626-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2013-05-14 US disclosed
US-20110098235-A1 ANTINEOPLASTIC PEPTIDES ABBOTT GMBH & CO. KG (DE) 2011-04-28 US disclosed
US-7807779-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2010-10-05 US disclosed
US-7807779-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2010-10-05 US disclosed
US-20080234205-A1 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2008-09-25 US disclosed
US-20080234205-A1 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2008-09-25 US disclosed
US-7368528-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2008-05-06 US disclosed
US-7368528-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2008-05-06 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 (2 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-20080234205-A1 Antineoplastic peptides BCL2A1, ETF1, BAK1 ALDH1A1 4381/4885MEN1 1274/4885LMNA 1915/4885
US-20110098235-A1 ANTINEOPLASTIC PEPTIDES BCL2A1, CSTB, BAK1 ALDH1A1 4287/4885MEN1 994/4885LMNA 1680/4885

“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.