SCHEMBL6323244

SCHEMBL6323244

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.53
MMP1 P03956 4/20 0.53
MMP2 P08253 4/20 0.53
MMP3 P08254 4/20 0.53
MMP7 P09237 4/20 0.53
MMP9 P14780 4/20 0.53
CYP19A1 P11511 2/20 0.50
EEF2K O00418 2/20 0.49
S1PR1 P21453 3/20 0.47
ADAMTS4 O75173 1/20 0.46
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
KDM1A O60341 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
SCHEMBL6323240 1.00 MMP13 (0.53) MMP13MMP1MMP2MMP3MMP7
SCHEMBL8277063 0.82 MMP13 (0.60) MMP13MMP1MMP2MMP3MMP7
SCHEMBL6323466 0.80 CA2 (0.68) MMP13MMP1MMP2MMP3MMP7
SCHEMBL6323465 0.80 CA2 (0.68) MMP13MMP1MMP2MMP3MMP7
SCHEMBL6329763 0.79 CA2 (0.54) MMP13MMP1MMP2MMP3MMP7
SCHEMBL6326224 0.79 NR3C1 (0.51) CA12CA2CA9ALDH1A1TSHR
SCHEMBL6329758 0.79 CA2 (0.54) MMP13MMP1MMP2MMP3MMP7
SCHEMBL6320955 0.79 CA2 (0.53) MMP13MMP1MMP2MMP9CA12
SCHEMBL6323690 0.79 CA2 (0.53) MMP13MMP1MMP2MMP3MMP7
SCHEMBL6324072 0.79 MMP2 (0.53) MMP13MMP1MMP2MMP3MMP7

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 MMP13 2/4885MMP1 13/4885MMP2 26/4885

“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.