SCHEMBL22009103

SCHEMBL22009103

C[C@@H](O)C(N)(CS)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 2/20 0.39
ARG2 P78540 1/20 0.39
CYP1A2 P05177 2/20 0.35
ODC1 P11926 1/20 0.35
CYP2D6 P10635 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
ENPEP Q07075 2/20 0.33
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33

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
SCHEMBL22009123 1.00 ARG1 (0.39) ARG1ARG2CYP1A2ODC1CYP2D6
SCHEMBL16222693 0.84 ARG1 (0.48) ARG1ARG2CYP1A2ODC1CYP2D6
SCHEMBL16222763 0.84 ARG1 (0.48) ARG1ARG2CYP1A2ODC1CYP2D6
SCHEMBL22009572 0.79 ARG1 (0.40) ARG1ARG2CYP1A2ODC1CYP2D6
SCHEMBL22009377 0.79 ARG1 (0.40) ARG1ARG2CYP1A2ODC1CYP2D6
SCHEMBL28577951 0.79 ARG1 (0.40) ARG1ARG2CYP1A2ODC1CYP2D6
SCHEMBL16222670 0.78 ARG1 (0.37) ARG1ARG2CYP1A2ODC1KDM4E
SCHEMBL11083886 0.78 CYP1A2 (0.48) ARG1ARG2CYP1A2ODC1CYP2D6
SCHEMBL16222764 0.78 ARG1 (0.37) ARG1ARG2CYP1A2ODC1KDM4E
SCHEMBL4318235 0.77 ARG1 (0.43) ARG1ARG2ODC1KDM4ELMNA

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-10954537-B2 Amino acids bearing a norbornene moiety VALANX BIOTECH GMBH (AT) 2021-03-23 US disclosed
US-20200157586-A1 NOVEL AMINO ACIDS BEARING A NORBORNENE MOIETY TECHNISCHE UNIVERSITÄT GRAZ (AT) 2020-05-21 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-20200157586-A1 NOVEL AMINO ACIDS BEARING A NORBORNENE MOIETY BCAT1, BCAT2, NGLY1 ARG1 780/4885ARG2 1254/4885CYP1A2 3233/4885
US-10954537-B2 Amino acids bearing a norbornene moiety BCAT1, BCAT2, DNPEP ARG1 875/4885ARG2 1477/4885CYP1A2 2589/4885

“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.