SCHEMBL5216236

SCHEMBL5216236

CC(C(=O)OC(C)(C)C)c1cccc(CBr)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.44
PTGS1 P23219 2/20 0.40
PTGS2 P35354 1/20 0.40
AKT1 P31749 1/20 0.39
SLC7A5 Q01650 1/20 0.39
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
RECQL P46063 1/20 0.35
PAX8 Q06710 1/20 0.35

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
SCHEMBL2917051 0.84 PTGS1 (0.56) PTGS1PTGS2CYP4F2CYP4A11MEN1
SCHEMBL10174261 0.82 CYP4F2 (0.44) PTGS1PTGS2CYP4F2CYP4A11ALDH1A1
SCHEMBL5914069 0.82 FFAR1 (0.45) APPPTGS1PTGS2SLC7A5
SCHEMBL5914075 0.82 FFAR1 (0.45) APPPTGS1PTGS2SLC7A5
SCHEMBL5216265 0.82 APP (0.45) APPPTGS1PTGS2
SCHEMBL27276632 0.81 APP (0.47) APPPTGS1PTGS2ALDH1A1
SCHEMBL30841003 0.81 APP (0.47) APPPTGS1PTGS2ALDH1A1
SCHEMBL5914135 0.80 SIRT2 (0.42) APPPTGS1PTGS2MEN1KMT2A
SCHEMBL5262344 0.80 SIRT2 (0.42) APPPTGS1PTGS2MEN1KMT2A
SCHEMBL27697908 0.80 PTGS1 (0.40) PTGS1PTGS2CYP4F2CYP4A11MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1276732-B1 AMIDES OF R-2-(AMINOARYL)-PROPIONIC ACIDS FOR USE IN THEPREVENTION OF LEUCOCYTE ACTIVATION\ DOMPE PHA R MA SPA RES & MFG (IT) 2007-09-26 EP disclosed
US-7217707-B2 Amide of R-2-(aminoaryl)-propionic acid for use in the prevention of leucocyte activation DOMPE S.P.A. (IT) 2007-05-15 US disclosed
US-20040186146-A1 Amide of r-2-(aminoaryl)-propionic acid for use in theprevention of leucocyte activation DOMPÉ FARMACEUTICI S.P.A. (IT) 2004-09-23 US disclosed
EP-1276732-A1 AMIDES OF R-2-(AMINOARYL)-PROPIONIC ACIDS FOR USE IN THEPREVENTION OF LEUCOCYTE ACTIVATION\ Dompé S.P.A. (IT) 2003-01-22 EP disclosed
WO-2001079189-A2 'AMIDES OF R-2-(AMINOARYL)-PROPIONIC ACIDS FOR USE IN THEPREVENTION OF LEUCOCYTE ACTIVATION' Dompé S.p.A. (IT) 2001-10-25 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-20040186146-A1 Amide of r-2-(aminoaryl)-propionic acid for use in theprevention of leucocyte activation MMP8, CXCL8, HCAR2 APP 2281/4885PTGS1 370/4885PTGS2 292/4885

“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.