SCHEMBL6328876

SCHEMBL6328876

CCCCCc1ccc(S(=O)(=O)N(C)[C@H](C)CC(=O)C=S)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.44
THRB P10828 9/20 0.41
THRA P10827 8/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
S1PR2 O95136 2/20 0.38
S1PR1 P21453 2/20 0.38
CNR2 P34972 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
S1PR4 O95977 1/20 0.37
S1PR3 Q99500 1/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37

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
SCHEMBL6328874 0.84 CA2 (0.47) CA2THRBTHRACA12CA1
SCHEMBL6323652 0.81 CA2 (0.51) CA2THRBTHRACA12CA1
SCHEMBL6323645 0.81 CA2 (0.51) CA2THRBTHRACA12CA1
SCHEMBL6330924 0.79 CA2 (0.51) CA2THRBTHRACA12CA1
SCHEMBL6330921 0.79 CA2 (0.51) CA2THRBTHRACA12CA1
SCHEMBL6323724 0.77 THRB (0.48) THRBTHRACA12CA1CA9
SCHEMBL6323660 0.71 CA2 (0.51) CA2THRBTHRACA12CA1
SCHEMBL7856535 0.71 CA2 (0.62) CA2THRBTHRACA12CA1
SCHEMBL12040860 0.71 CA2 (0.62) CA2THRBTHRACA12CA1
SCHEMBL7863071 0.71 CA2 (0.54) CA2THRBTHRACA12CA1

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 CA2 492/4885THRB 4464/4885THRA 4153/4885

“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.