SCHEMBL2118366

SCHEMBL2118366

CCCN[C@@H](CCSC)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.46
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.41
CA2 P00918 3/20 0.41
CA1 P00915 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
FOLH1 Q04609 1/20 0.41
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
PGGT1B P53609 1/20 0.40

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
SCHEMBL2118362 1.00 RNPEP (0.46) RNPEPLMNAGAAALDH1A1MAPK1
Acrylic Acid SCHEMBL7576370 0.91 GAA (0.42) RNPEPLMNAGAAALDH1A1MAPK1
SCHEMBL27750256 0.89 NOD1 (0.47) RNPEPLMNAALDH1A1MAPK1USP2
SCHEMBL29428966 0.89 NOD1 (0.47) RNPEPLMNAALDH1A1MAPK1USP2
SCHEMBL149342 0.89 RNPEP (0.48) RNPEPLMNAGAAALDH1A1MAPK1
SCHEMBL8755755 0.89 RNPEP (0.48) RNPEPLMNAGAAALDH1A1MAPK1
SCHEMBL303334 0.88 NOD1 (0.49) RNPEPLMNAALDH1A1MAPK1USP2
SCHEMBL303333 0.88 NOD1 (0.49) RNPEPLMNAALDH1A1MAPK1USP2
SCHEMBL1147839 0.88 NOD1 (0.49) RNPEPLMNAALDH1A1MAPK1USP2
SCHEMBL25411986 0.86 NOD1 (0.51) RNPEPLMNAFOLH1FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120093726-A1 Radiolabeled Fluorine Derivatives of Methionine CRC FOR BIOMEDICAL IMAGING DEVELOPMENT LTD. (AU) 2012-04-19 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-20120093726-A1 Radiolabeled Fluorine Derivatives of Methionine BHMT2, MGMT, AHCY RNPEP 111/4885LMNA 2514/4885GAA 4140/4885

“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.