SCHEMBL6323458

SCHEMBL6323458

CCCOc1ccc(S(=O)(=O)N(C)[C@H](C)CO)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
MMP3 P08254 5/20 0.47
TSHR P16473 2/20 0.44
MMP1 P03956 4/20 0.44
MMP9 P14780 3/20 0.44
MMP13 P45452 3/20 0.44
MMP2 P08253 1/20 0.44
MMP8 P22894 1/20 0.44
MMP14 P50281 1/20 0.44
ADAM17 P78536 2/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
GPR88 Q9GZN0 1/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL6323456 1.00 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL6330962 0.89 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL6330960 0.89 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL6325750 0.86 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL6325747 0.86 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL6325694 0.82 MEN1 (0.57) MMP3MMP1MMP9MMP13MMP2
SCHEMBL6325691 0.82 MEN1 (0.57) MMP3MMP1MMP9MMP13MMP2
SCHEMBL6322455 0.81 MMP3 (0.43) CA12CA1CA2CA7CA9
SCHEMBL6322453 0.81 MMP3 (0.43) CA12CA1CA2CA7CA9
SCHEMBL6325894 0.80 ADAMTS4 (0.56) CA12CA1CA2CA7CA9

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 CA12 248/4885CA1 196/4885CA2 492/4885

“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.