SCHEMBL6629363

SCHEMBL6629363

NCCC1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)O)CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 1.00
ITGA4 P13612 20/20 1.00

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
SCHEMBL14799397 1.00 ITGB1 (1.00) ITGB1ITGA4
Trifluoroacetic Acid SCHEMBL14799358 0.95 ITGB1 (0.91) ITGB1ITGA4
SCHEMBL20387801 0.91 ITGB1 (0.83) ITGB1ITGA4
SCHEMBL14799323 0.91 ITGB1 (0.83) ITGB1ITGA4
SCHEMBL6625626 0.91 ITGB1 (0.83) ITGB1ITGA4
SCHEMBL6628051 0.89 ITGB1 (0.84) ITGB1ITGA4
SCHEMBL20045967 0.89 ITGB1 (0.84) ITGB1ITGA4
SCHEMBL6627822 0.89 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL7552133 0.87 ITGB1 (0.81) ITGB1ITGA4
SCHEMBL6626685 0.87 ITGB1 (1.00) ITGB1ITGA4

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11491178-B2 Chitosan covalently linked with small molecule integrin antagonist for targeted delivery HOFFMANN-LA ROCHE, INC. (US) 2022-11-08 US disclosed
CN-104039356-B For chitosan targeted delivery and that small molecule integrin antagonist is covalently attached 弗·哈夫曼-拉罗切有限公司 2018-08-17 CN disclosed
EP-2806898-B1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4 HOFFMANN LA ROCHE (CH) 2018-07-18 EP disclosed
EP-2806898-B1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4 HOFFMANN LA ROCHE (CH) 2018-07-18 EP disclosed
US-20180099005-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY HOFFMANN-LA ROCHE, INC. 2018-04-12 US disclosed
US-20180099005-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY HOFFMANN-LA ROCHE, INC. 2018-04-12 US disclosed
EP-2806896-B1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY HOFFMANN LA ROCHE (CH) 2018-01-03 EP disclosed
EP-2806897-B1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING LFA-1 HOFFMANN LA ROCHE (CH) 2017-08-02 EP disclosed
US-9650363-B2 Integrin antagonist conjugates for targeted delivery to cells expressing LFA-1 HOFFMANN-LA ROCHE INC. (US) 2017-05-16 US disclosed
US-9650363-B2 Integrin antagonist conjugates for targeted delivery to cells expressing LFA-1 HOFFMANN-LA ROCHE INC. (US) 2017-05-16 US disclosed
US-20130197205-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY HOFFMANN-LA ROCHE INC. (US) 2013-08-01 US disclosed
US-20130079383-A1 Lipid Compounds Targeting VLA-4 ARROWHEAD RESEARCH CORPORATION (US) 2013-03-28 US disclosed
US-20130079383-A1 Lipid Compounds Targeting VLA-4 ARROWHEAD RESEARCH CORPORATION (US) 2013-03-28 US disclosed
US-20040210051-A1 N-alkanoylphenylalanine derivatives CHEN LI (US) 2004-10-21 US disclosed
US-6806365-B2 ACTIVITY AS INHIBITORS OF BINDING BETWEEN VCAM-1 AND CELLS EXPRESSING VLA-4. SUCH COMPOUNDS ARE USEFUL FOR TREATING DISEASES WHOSE SYMPTOMS AND/OR DAMAGE ARE RELATED TO THE BINDING OF VCAM-1 TO CELLS EXPRESSING VLA-4. HOFFMANN-LA ROCHER INC. 2004-10-19 US disclosed
EP-1005446-B1 N-AROYLPHENYLALANINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-02-25 EP disclosed
US-20030109459-A1 N-alkanoylphenylalamine derivatives CHEN LI (US) 2003-06-12 US disclosed
US-6455550-B1 INHIBITORS OF BINDING BETWEEN VASCULAR CELL ADHESION MOLECULES AND CELLS EXPRESSING VLA-4 INTEGRIN; ANTIINFLAMMATORY AGENTS HOFFMANN-LA ROCHE INC. 2002-09-24 US disclosed
EP-1005446-A1 N-AROYLPHENYLALANINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-07 EP disclosed
WO-1999010313-A1 N-AROYLPHENYLALANINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1999-03-04 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 (6 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-20180099005-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY ITGB1, ITGA4, ITGB4 ITGB1 1/4885ITGA4 2/4885
US-20030109459-A1 N-alkanoylphenylalamine derivatives VCAM1, ICAM1, SELL ITGB1 14/4885ITGA4 9/4885
US-20130197205-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY ITGB1, ITGA4, ITGA1 ITGB1 1/4885ITGA4 2/4885
US-20040210051-A1 N-alkanoylphenylalanine derivatives VCAM1, ICAM1, CD59 ITGB1 12/4885ITGA4 10/4885
US-11491178-B2 Chitosan covalently linked with small molecule integrin antagonist for targeted delivery ITGB1, ITGA4, ITGB4 ITGB1 1/4885ITGA4 2/4885
US-20130079383-A1 Lipid Compounds Targeting VLA-4 LPAR4, ASGR1, VCAM1 ITGB1 20/4885ITGA4 4/4885

“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.