SCHEMBL5248185

SCHEMBL5248185

C[C@@H](C(=O)NS(C)(=O)=O)c1ccc(CN2CC=CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 4/20 0.63
CXCR1 P25024 3/20 0.63
THRB P10828 1/20 0.49
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
CHRM1 P11229 1/20 0.40
PDE4A P27815 1/20 0.40
TBXA2R P21731 1/20 0.39
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGFR P43088 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGIR P43119 1/20 0.39
PTGDR Q13258 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL6961823 0.87 CXCR2 (0.63) CXCR2CXCR1THRBALDH1A1HTT
SCHEMBL6961828 0.87 CXCR2 (0.63) CXCR2CXCR1THRBALDH1A1HTT
SCHEMBL5218361 0.79 PTGS1 (0.56) CXCR2CXCR1CHRM1ALDH1A1HTT
SCHEMBL5214115 0.77 EPHX1 (0.57) CXCR2CXCR1CHRM1ALDH1A1HTT
Reparixin SCHEMBL1884299 0.77 CXCR2 (1.00) CXCR2CXCR1THRBCHRM1PDE4A
SCHEMBL5214126 0.77 EPHX1 (0.57) CXCR2CXCR1CHRM1ALDH1A1HTT
Reparixin SCHEMBL1884300 0.77 CXCR2 (1.00) CXCR2CXCR1THRBCHRM1PDE4A
SCHEMBL5249132 0.77 FAAH (0.41) CXCR2CXCR1ALDH1A1HTTSMN1; SMN2
SCHEMBL5213717 0.77 FAAH (0.41) CXCR2CXCR1ALDH1A1HTTSMN1; SMN2
SCHEMBL5221370 0.77 CXCR2 (0.51) CXCR2CXCR1THRBALDH1A1HTT

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 6 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
EP-1682558-B1 METHOD FOR THE PRODUCTION OF SILICON COMPOUNDS CARRYING AMINO GROUPS WACKER CHEMIE AG (DE) 2007-09-19 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 384/4885THRB 3486/4885

“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.