SCHEMBL6809453

SCHEMBL6809453

C=Cc1ccc(S(=O)(=O)N2[CH]CCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
USP2 O75604 2/20 0.39
ALDH1A1 P00352 4/20 0.37
F13A1 P00488 2/20 0.36
TGM2 P21980 2/20 0.36
TGM1 P22735 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 2/20 0.34
PKM P14618 2/20 0.34
HTT P42858 2/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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 0.77 CYP2C9 (0.50) ALDH1A1POLBPKMGAAKDM4E
SCHEMBL3317094 0.72 PKM (0.57) TDP1ALDH1A1MEN1KMT2APOLB
SCHEMBL5915288 0.72 L3MBTL1 (0.54) USP2ALDH1A1MEN1KMT2APOLB
SCHEMBL6809391 0.72 ALDH1A1 (0.64) USP2ALDH1A1KMT2AHTTMAPT
SCHEMBL293776 0.72 ALDH1A1 (0.51) USP2ALDH1A1POLBPKMGAA
SCHEMBL29687970 0.70 POLB (0.67) USP2ALDH1A1MEN1KMT2APOLB
SCHEMBL4575845 0.70 ATM (0.63) TDP1USP2MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL5733527 0.69 MAPT (0.61) TDP1USP2ALDH1A1F13A1TGM2
Lithium Ion SCHEMBL813502 0.68 TDP1 (0.61) TDP1HCRTR1HCRTR2ALDH1A1HTT
SCHEMBL19915134 0.68 TDP1 (0.61) TDP1HCRTR1HCRTR2ALDH1A1HTT

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 TDP1 3720/4885HCRTR1 3424/4885HCRTR2 4016/4885

“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.