SCHEMBL22009188

SCHEMBL22009188

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
TP53 P04637 1/20 0.40
ARG1 P05089 3/20 0.36
ARG2 P78540 3/20 0.36
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
SLC7A5 Q01650 1/20 0.33
ODC1 P11926 1/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL22009126 1.00 CYP1A2 (0.41) CYP1A2CYP2D6TP53ARG1ARG2
SCHEMBL8168353 1.00 CYP1A2 (0.41) CYP1A2CYP2D6TP53ARG1ARG2
Hydrochloric Acid SCHEMBL28506784 0.87 CYP1A2 (0.42) CYP1A2CYP2D6TP53ARG1ARG2
SCHEMBL497756 0.79 CYP1A2 (0.43) CYP1A2CYP2D6TP53ARG1ARG2
SCHEMBL15636111 0.77
SCHEMBL442847 0.77
SCHEMBL849765 0.77
SCHEMBL6265677 0.77
SCHEMBL594190 0.74
SCHEMBL574756 0.74

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 CYP1A2 3233/4885CYP2D6 3289/4885TP53 1456/4885
US-10954537-B2 Amino acids bearing a norbornene moiety BCAT1, BCAT2, DNPEP CYP1A2 2589/4885CYP2D6 2680/4885TP53 1085/4885

“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.