SCHEMBL6323693

SCHEMBL6323693

C[C@H](CS)NS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.53
CA1 P00915 3/20 0.53
CA12 O43570 3/20 0.52
CA9 Q16790 3/20 0.52
CA14 Q9ULX7 2/20 0.52
CA3 P07451 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52
CA13 Q8N1Q1 1/20 0.52
CA5B Q9Y2D0 1/20 0.52
NR3C1 P04150 1/20 0.51
MMP2 P08253 5/20 0.50
MMP1 P03956 3/20 0.50
MMP9 P14780 3/20 0.50
MMP13 P45452 3/20 0.50
MMP3 P08254 2/20 0.50
MMP7 P09237 2/20 0.50
ALDH1A1 P00352 2/20 0.49

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
SCHEMBL6323690 1.00 CA2 (0.53) CA2CA1CA12CA9CA14
SCHEMBL6326224 0.86 NR3C1 (0.51) CA2CA1CA12CA9CA7
SCHEMBL6326221 0.86 NR3C1 (0.51) CA2CA1CA12CA9CA7
SCHEMBL6323466 0.84 CA2 (0.68) CA2CA1CA12CA9CA14
SCHEMBL18457148 0.84 MMP2 (0.55) CA2CA1CA12CA9CA14
SCHEMBL6323465 0.84 CA2 (0.68) CA2CA1CA12CA9CA14
SCHEMBL6329763 0.83 CA2 (0.54) CA2CA1CA12CA9MMP2
SCHEMBL6324072 0.83 MMP2 (0.53) CA2CA1CA12CA9CA14
SCHEMBL6320955 0.83 CA2 (0.53) CA2CA1CA12CA9CA4
SCHEMBL6329758 0.83 CA2 (0.54) CA2CA1CA12CA9MMP2

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 492/4885CA1 196/4885CA12 248/4885

“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.