SCHEMBL6809419

SCHEMBL6809419

O=S(=O)(c1ccc(C=Cc2ccccc2)cc1)N1[CH]CCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
MMP8 P22894 2/20 0.42
MMP3 P08254 1/20 0.42
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
GPR183 P32249 2/20 0.41
PKM P14618 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.37
ACHE P22303 1/20 0.37
TSHR P16473 1/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL3316800 0.85 CYP2C9 (0.50) ALDH1A1GAAPKMCYP3A4CYP2D6
SCHEMBL293776 0.80 ALDH1A1 (0.51) ALDH1A1GAAPKMCYP3A4CYP2D6
SCHEMBL28748742 0.70 TSHR (0.62) ALDH1A1CYP2D6CYP2C9LMNATSHR
SCHEMBL11741660 0.70 NFE2L2 (0.46) MAPK1ALDH1A1LMNA
SCHEMBL6809391 0.70 ALDH1A1 (0.64) MAPK1ALDH1A1LMNATSHRUSP2
SCHEMBL11741666 0.69 TSHR (0.60) ALDH1A1CYP2D6CYP2C9LMNATSHR
SCHEMBL28050659 0.66 CA2 (0.62) GAALMNA
SCHEMBL27722400 0.66 PTGS2 (0.59)
Sulfuric Acid SCHEMBL20893319 0.66 NFE2L2 (0.46) MAPK1ALDH1A1LMNA
SCHEMBL6809423 0.65 CNR1 (0.42) ALDH1A1

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 MAPK1 2607/4885MMP8 976/4885MMP3 1542/4885

“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.