SCHEMBL5217432

SCHEMBL5217432

C[C@@H](C(=O)O)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
LMNA P02545 3/20 0.55
HIF1A Q16665 2/20 0.53
TSHR P16473 2/20 0.48
PRKDC P78527 1/20 0.48
PTGS2 P35354 2/20 0.47
PTGS1 P23219 2/20 0.47
GSK3B P49841 1/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALOX15 P16050 2/20 0.47
MAPK1 P28482 2/20 0.47
GAA P10253 2/20 0.47
ALOX12 P18054 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
AKR1C3 P42330 2/20 0.46
KMO O15229 1/20 0.46
TP53 P04637 3/20 0.46

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
SCHEMBL5217443 1.00 ALDH1A1 (0.55) ALDH1A1LMNAHIF1ATSHRPRKDC
SCHEMBL27536636 0.88 ALDH1A1 (0.56) ALDH1A1LMNAHIF1ATSHRPRKDC
SCHEMBL6787925 0.86 MAPT (0.53) ALDH1A1LMNAHIF1ATSHRPTGS2
SCHEMBL2444961 0.85 HIF1A (0.55) ALDH1A1LMNAHIF1ATSHRPRKDC
SCHEMBL27602621 0.85 ALDH1A1 (0.51) ALDH1A1LMNAHIF1ATSHRPTGS2
SCHEMBL2370538 0.83 NPC1 (0.50) ALDH1A1LMNAPTGS2PTGS1MAPT
SCHEMBL28456821 0.83 ALDH1A1 (0.51) ALDH1A1LMNAHIF1ATSHRPRKDC
SCHEMBL5332118 0.82 ALDH1A1 (0.54) ALDH1A1LMNATSHRPTGS2PTGS1
SCHEMBL23053215 0.81 ALDH1A1 (0.49) ALDH1A1LMNAHIF1ATSHRPRKDC
SCHEMBL11061699 0.81 ALDH1A1 (0.49) ALDH1A1LMNAHIF1ATSHRPRKDC

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 ALDH1A1 391/4885LMNA 2262/4885HIF1A 1240/4885

“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.