SCHEMBL991695

SCHEMBL991695

CCCCCOc1ccc(S(=O)(=O)NCCNCCCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.62
CA2 P00918 7/20 0.62
CA12 O43570 5/20 0.62
CA9 Q16790 5/20 0.62
ADAMTS4 O75173 1/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP13 P45452 1/20 0.49
MMP14 P50281 1/20 0.49
ADAMTS5 Q9UNA0 1/20 0.49
ALDH1A1 P00352 3/20 0.47
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
SUCNR1 Q9BXA5 1/20 0.42
KCNA5 P22460 1/20 0.42
KCNH2 Q12809 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
SCHEMBL29695319 0.92 CA12 (0.65) CA1CA2CA12CA9ADAMTS4
SCHEMBL2481161 0.86 ADAMTS4 (0.54) ADAMTS4MMP1MMP2MMP13MMP14
SCHEMBL15616293 0.84 CA12 (0.61) CA1CA2CA12CA9ADAMTS4
SCHEMBL3372238 0.82 CA1 (0.63) CA1CA2CA12CA9ADAMTS4
SCHEMBL21625802 0.79 CA1 (0.77) CA1CA2CA12CA9MEN1
SCHEMBL991010 0.79 ADAMTS4 (0.52) CA1CA2CA12CA9ADAMTS4
SCHEMBL21625809 0.79 CA1 (0.76) CA1CA2CA12CA9ADAMTS4
SCHEMBL3368185 0.79 CA12 (0.57) CA1CA2CA12CA9ADAMTS4
SCHEMBL15199006 0.77 CA1 (1.00) CA1CA2CA12CA9MEN1
SCHEMBL29695282 0.77 ALDH1A1 (0.58) CA1CA2CA12CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015119-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2011-01-20 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-20110015119-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS SI, FUT6, B3GAT3 CA1 694/4885CA2 1927/4885CA12 338/4885

“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.