SCHEMBL6737906

SCHEMBL6737906

CCCCOc1ccc(S(=O)(=O)N[C@@H](C(=O)O)[C@H](O)CCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.54
CA1 P00915 5/20 0.54
CA2 P00918 5/20 0.54
CA9 Q16790 5/20 0.54
ADAMTS4 O75173 4/20 0.49
MMP13 P45452 5/20 0.46
MMP3 P08254 2/20 0.46
KCNA5 P22460 1/20 0.42
MMP2 P08253 3/20 0.42
MMP1 P03956 1/20 0.42
MMP14 P50281 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.42
MMP9 P14780 2/20 0.42
MMP8 P22894 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41

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
SCHEMBL6740649 0.88 SLC1A3 (0.54) CA12CA1CA2CA9ADAMTS4
SCHEMBL6737818 0.85 MMP2 (0.58) ADAMTS4MMP13MMP3MMP2MMP1
SCHEMBL6741398 0.82 MMP13 (0.56) CA12CA1CA2CA9ADAMTS4
SCHEMBL6732467 0.77 MMP13 (0.54) CA12CA1CA2CA9ADAMTS4
SCHEMBL29695319 0.77 CA12 (0.65) CA12CA1CA2CA9ADAMTS4
SCHEMBL15616293 0.76 CA12 (0.61) CA12CA1CA2CA9ADAMTS4
SCHEMBL21625809 0.74 CA1 (0.76) CA12CA1CA2CA9ADAMTS4
SCHEMBL3372238 0.74 CA1 (0.63) CA12CA1CA2CA9ADAMTS4
SCHEMBL6501420 0.74 ADAM17 (0.56) CA12CA1CA2CA9MMP13
SCHEMBL6508210 0.74 ADAM17 (0.56) CA12CA1CA2CA9MMP13

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142975-A1 Beta disubstituted metalloprotease inhibitors THE PROCTER &GAMBLE COMPANY 2004-07-22 US claimed
EP-1224171-A1 BETA DISUBSTITUTED METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-07-24 EP claimed
WO-2001027084-A1 BETA DISUBSTITUTED METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2001-04-19 WO claimed

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-20040142975-A1 Beta disubstituted metalloprotease inhibitors ADAM17, ADAM9, SI CA12 967/4885CA1 493/4885CA2 427/4885

“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.