SCHEMBL6947203

SCHEMBL6947203

C[C@H](NC(=O)c1ccc(/C(N)=N/O)cc1)C(=O)N1CCC(OCC(=O)O)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 1.00
ITGA2B P08514 16/20 1.00
POLB P06746 1/20 0.41

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
SCHEMBL7285318 1.00 ITGB3 (1.00) ITGB3ITGA2BPOLB
SCHEMBL6947214 1.00 ITGB3 (1.00) ITGB3ITGA2BPOLB
SCHEMBL7285305 1.00 ITGB3 (1.00) ITGB3ITGA2BPOLB
SCHEMBL8379150 0.91 ITGB3 (0.82) ITGB3ITGA2BPOLB
SCHEMBL8379143 0.91 ITGB3 (0.82) ITGB3ITGA2BPOLB
SCHEMBL8379159 0.91 ITGB3 (0.82) ITGB3ITGA2BPOLB
SCHEMBL8379170 0.91 ITGB3 (0.82) ITGB3ITGA2BPOLB
SCHEMBL8379356 0.90 ITGB3 (0.81) ITGB3ITGA2BPOLB
SCHEMBL8379329 0.90 ITGB3 (0.81) ITGB3ITGA2BPOLB
SCHEMBL8379352 0.90 ITGB3 (0.81) ITGB3ITGA2BPOLB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0847994-B1 Process for the preparation of mixed anhydrides HOFFMANN LA ROCHE (CH) 2003-04-09 EP claimed
EP-0656348-B1 Aceric acid derivatives as medicaments HOFFMANN LA ROCHE (CH) 2000-05-03 EP claimed
US-6562977-B2 For use in the synthesis of peptides and/or for the manufacture of pharmaceutically active substances or corresponding intermediates HOFFMANN-LA ROCHE INC. 2003-05-13 US disclosed
US-6489479-B1 THE PRESENT INVENTION IS CONCERNED WITH AN IMPROVED PROCESS FOR THE MANUFACTURE OF MIXED ANHYDRIDES. THE PROCESS COMPRISES ADDING AN ADJUVANT BASE TO A MIXTURE OF ACID AND REACTIVE ACID DERIVATIVE. IT IS ESPECIALLY SUITABLE FOR USE IN THE HOFFMAN-LA ROCHE INC. 2002-12-03 US disclosed
US-20020077481-A1 Process for the preparation of mixed anhydrides KARPF MARTIN (CH) 2002-06-20 US disclosed
EP-0656348-B1 Aceric acid derivatives as medicaments HOFFMANN LA ROCHE (CH) 2000-05-03 EP disclosed
US-5973188-A Acetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1999-10-26 US disclosed
EP-0656348-A2 Aceric acid derivatives as medicaments F. HOFFMANN-LA ROCHE AG (CH) 1995-06-07 EP 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-20020077481-A1 Process for the preparation of mixed anhydrides CA1, CA14, CA12 ITGB3 3219/4885ITGA2B 2007/4885POLB 1424/4885

“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.