Sugi Predict

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SCHEMBL5221370

SCHEMBL5221370

C[C@@H](C(=O)NS(C)(=O)=O)c1ccc(CNN2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 3/20 0.51
▸ CXCR1 P25024 2/20 0.51
▸ SCN5A Q14524 1/20 0.46
▸ SCN9A Q15858 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ FAAH O00519 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ TRPV1 Q8NER1 1/20 0.44
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA7 P43166 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42

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
SCHEMBL6961828 0.82 CXCR2 (0.63) CXCR2CXCR1FAAHTHRBTRPV1
SCHEMBL6961823 0.82 CXCR2 (0.63) CXCR2CXCR1FAAHTHRBTRPV1
SCHEMBL5248185 0.77 CXCR2 (0.63) CXCR2CXCR1FAAHTHRBCA1
SCHEMBL13939943 0.72 CXCR2 (0.64) CXCR2CXCR1POLBTHRBALDH1A1
Reparixin SCHEMBL1884299 0.69 CXCR2 (1.00) CXCR2CXCR1THRBCA1CA2
Reparixin SCHEMBL1884300 0.69 CXCR2 (1.00) CXCR2CXCR1THRBCA1CA2
SCHEMBL13802533 0.68 CXCR2 (0.76) CXCR2CXCR1THRBCA1CA2
SCHEMBL13802644 0.68 CXCR2 (0.76) CXCR2CXCR1THRBCA1CA2
SCHEMBL13802357 0.68 CXCR2 (0.76) CXCR2CXCR1THRBCA1CA2
SCHEMBL27619094 0.66 DRD4 (0.61) ALDH1A1MEN1KMT2ALMNAHTT

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 CXCR2 125/4885CXCR1 384/4885SCN5A 1537/4885

“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.