SCHEMBL6809423

SCHEMBL6809423

O=S(=O)(c1cc(Cl)cc(Cl)c1)N1[CH]CCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FKBP1A P62942 1/20 0.39
KDM2B Q8NHM5 1/20 0.38
TMEM97 Q5BJF2 3/20 0.38
SIGMAR1 Q99720 3/20 0.38
ITGB1 P05556 4/20 0.37
ITGA4 P13612 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
SLC13A5 Q86YT5 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL5857463 0.95 ALDH1A1 (0.44) CNR1ALDH1A1MEN1KMT2AFKBP1A
SCHEMBL6805205 0.86 CNR1 (0.45) CNR1ALDH1A1MEN1KMT2AFKBP1A
SCHEMBL5915288 0.76 L3MBTL1 (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL6809424 0.75 ALDH1A1 (0.68) CNR1ALDH1A1MEN1KMT2AFKBP1A
SCHEMBL6809422 0.75 ALDH1A1 (0.68) CNR1ALDH1A1MEN1KMT2AFKBP1A
SCHEMBL4610558 0.74 ACLY (0.53)
SCHEMBL3316800 0.73 CYP2C9 (0.50) ALDH1A1KDM4EPOLB
SCHEMBL27974779 0.72 CNR1 (0.54) CNR1ALDH1A1MEN1KMT2ATMEM97
SCHEMBL6810032 0.69 PSEN1 (0.66) ALDH1A1MEN1KMT2AITGB1ITGA4
SCHEMBL2220456 0.68 KDM2B (0.51) CNR1ALDH1A1MEN1KMT2AFKBP1A

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 CNR1 1859/4885ALDH1A1 631/4885MEN1 3126/4885

“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.