Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 4/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MDM4 | O15151 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | FNTA | P49354 | 1/20 | 0.39 |
| ▸ | FNTB | P49356 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5342809 | 1.00 | CASP3 (0.51) | CASP3KMT2AMDM4TP53EPHX2 | |
| SCHEMBL5342811 | 1.00 | CASP3 (0.51) | CASP3KMT2AMDM4TP53EPHX2 | |
| SCHEMBL29522687 | 0.89 | CASP3 (0.48) | CASP3KMT2AMDM4TP53EPHX2 | |
| SCHEMBL6881599 | 0.89 | CASP3 (0.48) | CASP3KMT2AMDM4TP53EPHX2 | |
| SCHEMBL7706322 | 0.89 | CASP3 (0.48) | CASP3KMT2AMDM4TP53EPHX2 | |
| SCHEMBL3810153 | 0.89 | CASP3 (0.48) | CASP3KMT2AMDM4TP53EPHX2 | |
| SCHEMBL3199882 | 0.88 | CASP3 (0.59) | CASP3KMT2AMDM4TP53EPHX2 | |
| SCHEMBL3835254 | 0.88 | CASP3 (0.59) | CASP3KMT2AMDM4TP53EPHX2 | |
| SCHEMBL31299005 | 0.88 | CASP3 (0.59) | CASP3KMT2AMDM4TP53EPHX2 | |
| SCHEMBL3199894 | 0.88 | CASP3 (0.59) | CASP3KMT2AMDM4TP53EPHX2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1177181-B1 | SUBSTITUTED BICYCLIC COMPOUNDS | AVENTIS PHARMA LTD (GB) | 2009-01-28 | — | — | EP | disclosed |
| US-6953798-B1 | β-alanine derivates | CELLTECH R&D LIMITED (GB) | 2005-10-11 | — | — | US | disclosed |
| US-20030162799-A1 | Carbocyclic oxo, carboxy amines such as 3-(4-(3,5-Dichloro-4-pyridylcarboxamido)phenyl)-2-(2-propylamino-3,4 -dioxocyclobut-1-enyl)amino)propanoic acid, used as integrin antagonists; antiinflammatory agents | CELLTECH R&D LIMITED (GB) | 2003-08-28 | — | — | US | disclosed |
| US-6562851-B2 | Antiinflammatory and antiasthmatic agents; inhibitors of alpha4 beta1 mediated cell adhesion | AVENTIS PHARMA LIMITED (GB) | 2003-05-13 | — | — | US | disclosed |
| US-6518283-B1 | To modify integrin function in such a way as to beneficially modulate cell adhesion | CELLTECH R&D LIMITED (GB) | 2003-02-11 | — | — | US | disclosed |
| US-20020156111-A1 | Substituted bicyclic compounds | AVENTIS PHARMA LIMITED (GB) | 2002-10-24 | — | — | US | disclosed |
| EP-1181266-A1 | SQUARIC ACID DERIVATIVES AS CELL ADHESION MOLECULES | Celltech R&D Limited (GB) | 2002-02-27 | — | — | EP | disclosed |
| EP-1177181-A1 | SUBSTITUTED BICYCLIC COMPOUNDS | Aventis Pharma Limited (GB) | 2002-02-06 | — | — | EP | disclosed |
| EP-1135371-A1 | BETA-ALANINE DERIVATIVES AS ALPHA 4 INTEGRIN INHIBITORS | CELLTECH THERAPEUTICS LIMITED (GB) | 2001-09-26 | — | — | EP | disclosed |
| WO-2000073260-A1 | SQUARIC ACID DERIVATIVES AS CELL ADHESION MOLECULES | CELLTECH R&D LIMITED (GB) | 2000-12-07 | — | — | WO | disclosed |
| WO-2000068213-A1 | SUBSTITUTED BICYCLIC COMPOUNDS | AVENTIS PHARMA LIMITED (GB) | 2000-11-16 | — | — | WO | disclosed |
| WO-2000032575-A1 | β-ALANINE DERIVATIVES AS α4 INTEGRIN INHIBITORS | CELLTECH THERAPEUTICS LIMITED (GB) | 2000-06-08 | — | — | 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 (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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20020156111-A1 | Substituted bicyclic compounds | VCAM1, ITGA1, ITGA5 | CASP3 1504/4885KMT2A 3109/4885MDM4 4829/4885 |
| US-20030162799-A1 | Carbocyclic oxo, carboxy amines such as 3-(4-(3,5-Dichloro-4-pyridylcarboxamido)phenyl)-2-(2-propylamino-3,4 -dioxocyclobut-1-enyl)amino)propanoic acid, used as integrin antagonists; antiinflammatory agents | ICAM1, VCAM1, CCR1 | CASP3 1510/4885KMT2A 3947/4885MDM4 4832/4885 |
“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.