SCHEMBL4209175

SCHEMBL4209175

CCCCC(C)CC(=CC(=O)O)NC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.37
SLC15A1 P46059 1/20 0.35
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
MAPT P10636 1/20 0.34
CA2 P00918 3/20 0.33
MAPK1 P28482 1/20 0.33
KDM1A O60341 1/20 0.32
PLA2G2C Q5R387 1/20 0.31
GPR84 Q9NQS5 4/20 0.31
CA1 P00915 2/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 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
SCHEMBL4209171 1.00 ACE2 (0.37) ACE2SLC15A1ACHEBACE1MAPT
SCHEMBL4209168 1.00 ACE2 (0.37) ACE2SLC15A1ACHEBACE1MAPT
SCHEMBL4202992 0.90 TSHR (0.32) KDM1A
SCHEMBL4202986 0.90 TSHR (0.32) KDM1A
SCHEMBL4202981 0.90 TSHR (0.32) KDM1A
SCHEMBL4199772 0.83
SCHEMBL4199768 0.83
SCHEMBL4199766 0.83
SCHEMBL4198873 0.82 NPSR1 (0.36) ACE2SLC15A1MAPTCA2PLA2G2C
SCHEMBL4198876 0.82 NPSR1 (0.36) ACE2SLC15A1MAPTCA2PLA2G2C

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-20090247743-A1 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN PFIZER INC 2009-10-01 US disclosed
EP-1768952-A2 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN Warner-Lambert Company LLC (US) 2007-04-04 EP disclosed
WO-2006100606-A2 PREPARATION OF BETA-AMINO ACID PRECURSORS VIA INDIUM (III) MEDIATED MARKOVNIKOV ADDITION AND KNOEVENAGEL CONDENSATION WARNER-LAMBERT COMPANY LLC (US) 2006-09-28 WO disclosed
WO-2006008612-A2 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2006-01-26 WO 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-20090247743-A1 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN SCN2A, SCN1A, ORAI2 ACE2 964/4885SLC15A1 1221/4885ACHE 2754/4885

“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.