SCHEMBL5549045

SCHEMBL5549045

CSCC[C@H](CO)NC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.44
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 2/20 0.37
CYP2C9 P11712 1/20 0.36
FOLH1 Q04609 2/20 0.36
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
PTGS2 P35354 2/20 0.35
PKM P14618 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL14842156 1.00 RNPEP (0.44) RNPEPALDH1A1NPSR1LMNACYP2C9
SCHEMBL15486553 0.86 RNPEP (0.42) RNPEPALDH1A1NPSR1LMNAFOLH1
SCHEMBL5544851 0.82 RNPEP (0.42) RNPEPALDH1A1NPSR1LMNAFOLH1
SCHEMBL14842225 0.81 LMNA (0.34) RNPEPLMNA
SCHEMBL3587107 0.81 LMNA (0.34) RNPEPLMNA
SCHEMBL5544831 0.81 LMNA (0.34) RNPEPLMNA
SCHEMBL22722967 0.79 PLA2G2C (0.45) RNPEPALDH1A1NPSR1LMNAFOLH1
SCHEMBL22722965 0.79 PLA2G2C (0.45) RNPEPALDH1A1NPSR1LMNAFOLH1
SCHEMBL4284741 0.77 CNR1 (0.41)
SCHEMBL15304889 0.77 MEN1 (0.54) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-7030262-B2 3-Amino-2-hydroxyalkanoic acids and their prodrugs ABBOTT LABORATORIES (US) 2006-04-18 US disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20040122098-A1 3-Amino-2-hydroxyalkanoic acids and their prodrugs ABBVIE INC. 2004-06-24 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S RNPEP 4294/4885ALDH1A1 4310/4885NPSR1 21/4885
US-20040122098-A1 3-Amino-2-hydroxyalkanoic acids and their prodrugs HDGF, HCAR2, HCAR3 RNPEP 863/4885ALDH1A1 27/4885NPSR1 1809/4885

“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.