SCHEMBL5260171

SCHEMBL5260171

CCOC(=O)C(Cc1ccc(Oc2nc(C)cc3ccncc23)cn1)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.43
NLRP3 Q96P20 2/20 0.36
TACR1 P25103 2/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTPN1 P18031 2/20 0.33
MMP1 P03956 1/20 0.33
ITGB3 P05106 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
SCHEMBL5264792 0.82 SCN9A (0.38) SCN9ANLRP3ALDH1A1KDM4EHPGD
SCHEMBL2986557 0.80 ITGB3 (0.48) SCN9APTPN1ITGB3ITGA2BPPARG
SCHEMBL6537537 0.80 ITGB3 (0.48) SCN9APTPN1ITGB3ITGA2BPPARG
SCHEMBL7259870 0.80 SCN9A (0.43) SCN9ATACR1ALDH1A1MAPTKDM4E
SCHEMBL5260175 0.80 LATS1 (0.33) SCN9AMMP1
SCHEMBL7259872 0.80 SCN9A (0.43) SCN9ATACR1ALDH1A1MAPTKDM4E
SCHEMBL5260655 0.79 NLRP3 (0.34) NLRP3PPARGPPARA
SCHEMBL5262851 0.78 NLRP3 (0.33) NLRP3
SCHEMBL5262517 0.78 NLRP3 (0.33) NLRP3PPARGPPARA
SCHEMBL5262904 0.74 CYP1A2 (0.46) SCN9ANLRP3TACR1ALDH1A1MAPT

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-1332132-B1 ENAMINE DERIVATIVES AS CELL ADHESION MOLECULES UCB PHARMA SA (BE) 2007-10-10 EP disclosed
US-6780874-B2 AUTOIMMUNE DISEASE; ANTIINFLAMMATORY AGENTS; ANTIPROLIFERATIVE AGENT CELLTECH R & D LIMITED (GB) 2004-08-24 US disclosed
US-20030229116-A1 ENAMINE DERIVATIVES UCB PHARMA S.A. (BE) 2003-12-11 US disclosed
US-6610700-B2 Inhibit binding of integrins to their ligands, use in immune or inflammatory disorders; 3-(4-((2,6-Naphthyridinyl)amino)-phenyl)-2-((2-(1-ethylpropyl)-3-oxo-1 -cyclopentenyl) amino)-propionic acid, for example CELLTECH R & D LIMITED (GB) 2003-08-26 US disclosed
US-20020037909-A1 Enamine derivatives UCB PHARMA S.A. (BE) 2002-03-28 US 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 (2 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-20020037909-A1 Enamine derivatives CCR1, ITGB2, CCR10 SCN9A 3279/4885NLRP3 3064/4885TACR1 562/4885
US-20030229116-A1 ENAMINE DERIVATIVES ITGB2, CCR1, CCR10 SCN9A 3357/4885NLRP3 2767/4885TACR1 605/4885

“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.