SCHEMBL5216247

SCHEMBL5216247

CC(C(=O)OC(C)(C)C)c1ccccc1CBr

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
AAK1 Q2M2I8 1/20 0.37
AKT1 P31749 1/20 0.36
APP P05067 1/20 0.36
KCNA5 P22460 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
BTN3A1 O00481 1/20 0.35
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
ABCB1 P08183 1/20 0.34
LTA4H P09960 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 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
SCHEMBL10960539 0.86 ITGA4 (0.39) ITGA4ITGB7AAK1AKT1KCNA5
SCHEMBL2060453 0.82 KDM4E (0.42) LMNAKMT2AALDH1A1CYP2C19
SCHEMBL7628102 0.81 TSHR (0.43) LMNAKMT2AALDH1A1TSHR
SCHEMBL14721160 0.80 ESR1 (0.42) ITGA4ITGB7AAK1APPLMNA
SCHEMBL5215418 0.80 ESR1 (0.42) ITGA4ITGB7AAK1APPLMNA
SCHEMBL7746373 0.79 GABRA1 (0.47) ITGA4ITGB7AAK1APPLMNA
SCHEMBL16410353 0.78 APP (0.37) AAK1APPBTN3A1LMNAKMT2A
SCHEMBL16811751 0.78 ITGA4 (0.47) ITGA4ITGB7LMNAKMT2ACYP1A2
SCHEMBL1063487 0.76 PTGS2 (0.44) LMNAKMT2AALDH1A1
SCHEMBL16782680 0.75 MEN1 (0.46) LMNAKMT2ACYP1A2ALDH1A1CYP2C19

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 ITGA4 1351/4885ITGB7 354/4885AAK1 1863/4885

“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.