SCHEMBL6810032

SCHEMBL6810032

CC1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.66
PSEN2 P49810 2/20 0.66
APH1B Q8WW43 2/20 0.66
NCSTN Q92542 2/20 0.66
APH1A Q96BI3 2/20 0.66
PSENEN Q9NZ42 2/20 0.66
ALDH1A1 P00352 1/20 0.54
HTT P42858 1/20 0.54
ITGB1 P05556 8/20 0.50
ITGA4 P13612 8/20 0.50
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
AKR1C3 P42330 3/20 0.47
ACHE P22303 1/20 0.46
ITGB7 P26010 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL12203729 0.84 PSEN1 (0.91) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7240425 0.81 ITGB1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5249658 0.79 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3904073 0.78 ITGB1 (0.67) ALDH1A1HTTITGB1ITGA4ITGB7
SCHEMBL3904078 0.78 ITGB1 (0.67) ALDH1A1HTTITGB1ITGA4ITGB7
SCHEMBL6367506 0.78 ITGB1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7450743 0.78 ITGB1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3901904 0.77 ITGB1 (0.59) ITGB1ITGA4ITGB7
SCHEMBL29575786 0.77 ITGB1 (0.65) ITGB1ITGA4ITGB7
SCHEMBL16169932 0.77 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040132809-A1 Cell adhesion inhibitors BIOGEN, INC. 2004-07-08 US claimed
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 claimed

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-20040132809-A1 Cell adhesion inhibitors VCAM1, ICAM1, EPCAM PSEN1 1815/4885PSEN2 2895/4885APH1B 607/4885

“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.