SCHEMBL5260175

SCHEMBL5260175

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 1/20 0.33
AAK1 Q2M2I8 8/20 0.33
SLC22A12 Q96S37 1/20 0.32
SCN9A Q15858 1/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
ADAM17 P78536 1/20 0.30

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
SCHEMBL5264794 0.81 SLC22A12 (0.33) SLC22A12
SCHEMBL5260171 0.80 SCN9A (0.43) SCN9AMMP1
SCHEMBL5260665 0.80 EGLN1 (0.31)
SCHEMBL5262528 0.79 EGLN1 (0.30)
SCHEMBL5262859 0.78
SCHEMBL6537537 0.74 ITGB3 (0.48) SCN9A
SCHEMBL2986557 0.74 ITGB3 (0.48) SCN9A
SCHEMBL5262911 0.73 CTSS (0.35) AAK1
SCHEMBL5146360 0.73 MAPKAPK2 (0.35) AAK1
SCHEMBL5264792 0.71 SCN9A (0.38) SCN9A

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 LATS1 2882/4885AAK1 3193/4885SLC22A12 3281/4885
US-20030229116-A1 ENAMINE DERIVATIVES ITGB2, CCR1, CCR10 LATS1 2528/4885AAK1 3129/4885SLC22A12 3261/4885

“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.