SCHEMBL3771987

SCHEMBL3771987

CC(=O)N[C@@H](CC(=O)O)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 4/20 0.57
PAM P19021 1/20 0.54
CPA1 P15085 2/20 0.51
CPB1 P15086 1/20 0.51
CPA3 P15088 1/20 0.51
CPB2 Q96IY4 1/20 0.51
MME P08473 3/20 0.51
LMNA P02545 1/20 0.51
LTA4H P09960 2/20 0.51

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
SCHEMBL14392787 1.00 CTRB1 (0.57) CTRB1PAMCPA1CPB1CPA3
SCHEMBL27781785 1.00 CTRB1 (0.57) CTRB1PAMCPA1CPB1CPA3
SCHEMBL13296480 0.87 CTRB1 (0.54) CTRB1PAMLMNA
SCHEMBL14611003 0.85 CTRB1 (0.53) CTRB1PAMLMNA
SCHEMBL14392786 0.85 CTRB1 (0.53) CTRB1PAMLMNA
SCHEMBL6529461 0.84 MAPK1 (0.69) CTRB1PAMMMELMNA
SCHEMBL27904479 0.84 HPGD (0.58) CTRB1PAMLMNA
SCHEMBL6319150 0.84 MAPK1 (0.69) CTRB1PAMMMELMNA
SCHEMBL17305286 0.84 HPGD (0.58) CTRB1PAMLMNA
SCHEMBL2089507 0.84 MAPK1 (0.69) CTRB1PAMMMELMNA

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-7858348-B2 N-acetyl-(R,S)-beta-amino acid acylase gene AJINOMOTO CO., INC. (JP) 2010-12-28 US disclosed
US-20080241895-A1 N-Acetyl-(R,S)-beta-Amino Acid Acylase Gene AJINOMOTO CO., INC. (JP) 2008-10-02 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-20080241895-A1 N-Acetyl-(R,S)-beta-Amino Acid Acylase Gene ACSL4, FASN, BLVRB CTRB1 4283/4885PAM 3809/4885CPA1 2925/4885

“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.