SCHEMBL6034838

SCHEMBL6034838

CC(CN(C)C)NS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 9/20 0.50
▸ MMP1 P03956 7/20 0.50
▸ MMP9 P14780 7/20 0.50
▸ MMP13 P45452 7/20 0.50
▸ MMP3 P08254 6/20 0.50
▸ MMP7 P09237 6/20 0.50
▸ MMP14 P50281 1/20 0.48
▸ CA12 O43570 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ CA2 P00918 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.45
▸ CA1 P00915 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ SLC1A3 P43003 1/20 0.43
▸ SLC1A2 P43004 1/20 0.43
▸ SLC1A1 P43005 1/20 0.43

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
SCHEMBL13507008 0.81 MMP2 (0.55) MMP2MMP1MMP9MMP13MMP3
SCHEMBL6324074 0.80 MMP2 (0.53) MMP2MMP1MMP9MMP13MMP3
SCHEMBL3416060 0.80 MMP2 (0.56) MMP2MMP1MMP9MMP13MMP3
SCHEMBL3161450 0.80 MMP2 (0.56) MMP2MMP1MMP9MMP13MMP3
SCHEMBL6324072 0.80 MMP2 (0.53) MMP2MMP1MMP9MMP13MMP3
SCHEMBL6321461 0.80 MMP2 (0.56) MMP2MMP1MMP9MMP13MMP3
SCHEMBL3925403 0.77 MMP2 (0.50) MMP2MMP1MMP9MMP13MMP3
SCHEMBL3153329 0.77 MMP2 (0.50) MMP2MMP1MMP9MMP13MMP3
SCHEMBL3156061 0.77 MMP2 (0.50) MMP2MMP1MMP9MMP13MMP3
SCHEMBL3017227 0.77 MMP2 (0.60) MMP2MMP1MMP9MMP13MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 — — US claimed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 — — EP claimed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 — — WO claimed
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 — — US disclosed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 — — EP disclosed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 — — WO disclosed

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-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 GSK3A, GSK3B, PYGL MMP2 4274/4885MMP1 3376/4885MMP9 3280/4885

“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.

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