Sugi Predict

Sugi Predict / Compounds / SCHEMBL5262865

SCHEMBL5262865

SCHEMBL5262865

CCC1=C(N[C@H](C(=O)O)C(CC)c2ccc(Nc3nc(CC)cc4ccccc34)cc2)CCC1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.33
▸ MEN1 O00255 5/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ GAA P10253 3/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPY1R P25929 1/20 0.33
▸ NPY2R P49146 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.33
▸ ALDH1A1 P00352 5/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ EGFR P00533 2/20 0.33
▸ KDR P35968 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ CFD P00746 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 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
SCHEMBL5262154 0.83 NPR3 (0.37) MAPTMEN1KMT2AGAANPSR1
SCHEMBL5259518 0.80 MAPT (0.40) MAPTMEN1KMT2AGAANPSR1
SCHEMBL5262867 0.77 PDE4B (0.32) MAPTMEN1KMT2AGAANPSR1
SCHEMBL7716155 0.71 MAPT (0.36) MAPTMEN1KMT2AGAANPSR1
SCHEMBL7715514 0.69 MEN1 (0.32) MAPTMEN1KMT2AGAANPSR1
SCHEMBL7718422 0.69 SLC7A5 (0.45) MAPTMEN1KMT2AGAANPSR1
SCHEMBL7718430 0.69 SLC7A5 (0.45) MAPTMEN1KMT2AGAANPSR1
SCHEMBL5263890 0.68 CSNK2A1 (0.31) CSNK2A1
SCHEMBL7716176 0.68 AKR1C3 (0.36) MAPTSMN1; SMN2ALDH1A1CYP1A2RORC
SCHEMBL7714235 0.66 MAPT (0.36) MAPTMEN1KMT2AGAANPSR1

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 MAPT 4805/4885MEN1 4755/4885KMT2A 3381/4885
US-20030229116-A1 ENAMINE DERIVATIVES ITGB2, CCR1, CCR10 MAPT 4784/4885MEN1 4761/4885KMT2A 3342/4885

“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.