SCHEMBL6330949

SCHEMBL6330949

CCCCOc1ccc(S(=O)(=O)N(CCN2CCOCC2)CC(C)SC(C)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 3/20 0.51
BMP1 P13497 1/20 0.50
ALDH1A1 P00352 6/20 0.48
MAPK1 P28482 2/20 0.48
HRH3 Q9Y5N1 2/20 0.48
CYP1A2 P05177 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
HTR2A P28223 1/20 0.48
SCN1A P35498 1/20 0.48
HTR2B P41595 1/20 0.48
KCNH2 Q12809 1/20 0.48
SCN2A Q99250 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
SCN3A Q9NY46 1/20 0.48
LMNA P02545 2/20 0.48
THRB P10828 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
USP2 O75604 1/20 0.47

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
SCHEMBL6325045 0.92 MMP3 (0.48) MMP3ALDH1A1MAPK1HRH3CYP1A2
SCHEMBL6321722 0.91 MMP3 (0.49) MMP3ALDH1A1MAPK1HRH3CYP1A2
SCHEMBL6323083 0.87 ALDH1A1 (0.54) MMP3BMP1ALDH1A1MAPK1HRH3
SCHEMBL6331601 0.85 ALDH1A1 (0.54) MMP3BMP1ALDH1A1MAPK1HRH3
SCHEMBL6774290 0.85 MMP3 (0.56) MMP3LMNAKMT2AMAPTCA12
SCHEMBL6330947 0.80 ALDH1A1 (0.48) MMP3BMP1ALDH1A1MAPK1HRH3
SCHEMBL6330653 0.78 MMP3 (0.51) MMP3ALDH1A1MAPK1HRH3CYP1A2
SCHEMBL6323081 0.78 ALDH1A1 (0.54) MMP3BMP1ALDH1A1MAPK1HRH3
SCHEMBL6324038 0.77 MMP3 (0.52) MMP3ALDH1A1MAPK1HRH3CYP1A2
SCHEMBL6324147 0.76 MMP3 (0.48) MMP3ALDH1A1MAPK1HRH3CYP1A2

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-20050014840-A1 Thiol sulfonamide metalloprotease inhibitors PHARMACIA CORPORATION 2005-01-20 US disclosed
US-6747027-B1 SELECTIVELY INHIBITS IN VITRO ACTIVITY OF HUMAN MATRIX METALLOPROTEASE-13 OVER IN VITRO ACTIVITY OF HUMAN MATRIX METALLOPROTEASE-1 PHARMACIA CORPORATION 2004-06-08 US 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-20050014840-A1 Thiol sulfonamide metalloprotease inhibitors MMP12, MMP13, MMP3 MMP3 3/4885BMP1 2254/4885ALDH1A1 986/4885

“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.