SCHEMBL6809391

SCHEMBL6809391

CC(=O)c1ccc(S(=O)(=O)N2[CH]CCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
NPC1 O15118 1/20 0.64
MAPT P10636 1/20 0.64
RAB9A P51151 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.52
TSHR P16473 2/20 0.51
USP2 O75604 1/20 0.51
GFER P55789 1/20 0.50
EPHX2 P34913 1/20 0.46
ATM Q13315 1/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL27519797 0.80 PKM (0.58) ALDH1A1SMN1; SMN2LMNAHTTTSHR
SCHEMBL11536910 0.78 ALDH1A1 (1.00) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL2981180 0.77 ALDH1A1 (0.97) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL26313603 0.77 ALDH1A1 (0.97) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL3316800 0.75 CYP2C9 (0.50) ALDH1A1LMNATSHRL3MBTL1
SCHEMBL3317094 0.75 PKM (0.57) ALDH1A1SMN1; SMN2LMNAHTTTSHR
SCHEMBL5560091 0.72 LMNA (1.00) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL5915288 0.71 L3MBTL1 (0.54) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL334552 0.71 ALDH1A1 (0.73) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL3847472 0.71 ALDH1A1 (0.97) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2

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 ALDH1A1 631/4885NPC1 2287/4885MAPT 3852/4885

“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.