SCHEMBL3901904

SCHEMBL3901904

COC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 16/20 0.59
ITGA4 P13612 16/20 0.59
HCRTR1 O43613 3/20 0.58
HCRTR2 O43614 3/20 0.58
CASP3 P42574 1/20 0.57
ITGB7 P26010 1/20 0.55

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
SCHEMBL3901901 1.00 ITGB1 (0.59) ITGB1ITGA4HCRTR1HCRTR2CASP3
SCHEMBL29575786 0.84 ITGB1 (0.65) ITGB1ITGA4HCRTR1HCRTR2ITGB7
SCHEMBL3904073 0.83 ITGB1 (0.67) ITGB1ITGA4ITGB7
SCHEMBL3904078 0.83 ITGB1 (0.67) ITGB1ITGA4ITGB7
SCHEMBL7967513 0.82 ITGB1 (0.81) ITGB1ITGA4HCRTR1HCRTR2ITGB7
SCHEMBL6404199 0.81 ITGB1 (0.51) ITGB1ITGA4HCRTR1HCRTR2ITGB7
SCHEMBL4609883 0.81 ACLY (0.55) HCRTR1HCRTR2CASP3
SCHEMBL3904609 0.81 MMP2 (0.64) CASP3
SCHEMBL695760 0.81 MMP2 (0.64) CASP3
SCHEMBL14905820 0.80 CASP3 (0.59) HCRTR1HCRTR2CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250381168-A1 VLA4 INHIBITORS AND USES THEREOF WASHINGTON UNIVERSITY ST LOUIS (US) 2025-12-18 US disclosed
WO-2023250339-A2 VLA4 INHIBITORS AND USES THEREOF WASHINGTON UNIVERSITY (US) 2023-12-28 WO disclosed
EP-1778717-A4 CELL ADHESION INHIBITORS BIOGEN IDEC INC (US) 2009-01-21 EP disclosed
EP-1778717-A2 CELL ADHESION INHIBITORS Biogen Idec MA, Inc. (US) 2007-05-02 EP disclosed
US-7196112-B2 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2007-03-27 US disclosed
US-20070066533-A1 Cell adhesion inhibitors LEE WEN-CHERNG 2007-03-22 US disclosed
EP-1265606-B9 CELL ADHESION INHIBITORS BIOGEN IDEC INC (US) 2007-02-28 EP disclosed
EP-1741428-A2 Cell adhesion inhibitors Biogen Idec MA, Inc. (US) 2007-01-10 EP disclosed
EP-1265606-B1 CELL ADHESION INHIBITORS BIOGEN IDEC INC (US) 2006-10-25 EP disclosed
US-20060166961-A1 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2006-07-27 US disclosed
US-6630503-B1 Non-peptidic sulfonamide compounds that specifically inhibit the binding of ligands to VLA-4 for inhibition, prevention and suppression of VLA-4-mediated cell adhesion and pathologies such as inflammation and immune reactions BIOGEN, INC. 2003-10-07 US disclosed
US-6586602-B2 CD antigen antagonists such as N-(methanesulfonyl)-L-prolyl-L-phenylalanine and prodrugs used as antiinflammatory agents BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-07-01 US disclosed
US-20030065193-A1 Benzyl compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-04-03 US disclosed
EP-1265606-A4 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-18 EP disclosed
EP-1265606-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 2002-12-18 EP disclosed
CN-1377268-A Cell adhesion inhibitors BIOGEN INC (US) 2002-10-30 CN disclosed
US-6362341-B1 ANTIINFLAMMATORY AGENTS ATHENA NEUROSCIENCES, INC. 2002-03-26 US disclosed
WO-2001012186-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 2001-02-22 WO disclosed
EP-1001975-A1 BENZYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP disclosed
WO-1999006436-A1 BENZYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 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 (4 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-20070066533-A1 Cell adhesion inhibitors VCAM1, EPCAM, ICAM1 ITGB1 14/4885ITGA4 8/4885HCRTR1 4826/4885
US-20060166961-A1 Cell adhesion inhibitors VCAM1, ICAM1, EPCAM ITGB1 6/4885ITGA4 10/4885HCRTR1 4267/4885
US-20030065193-A1 Benzyl compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, ITGB4 ITGB1 35/4885ITGA4 10/4885HCRTR1 4265/4885
US-20250381168-A1 VLA4 INHIBITORS AND USES THEREOF CXCR4, SDF4, ITGB4 ITGB1 27/4885ITGA4 5/4885HCRTR1 4750/4885

“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.