SCHEMBL3372238

SCHEMBL3372238

CCCCCOc1ccc(S(=O)(=O)NC(=O)CCCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.63
CA2 P00918 9/20 0.63
CA12 O43570 5/20 0.63
CA9 Q16790 5/20 0.63
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.47
MMP1 P03956 2/20 0.47
MMP2 P08253 2/20 0.47
ADAMTS4 O75173 1/20 0.47
MMP13 P45452 1/20 0.47
MMP14 P50281 1/20 0.47
ADAMTS5 Q9UNA0 1/20 0.47
EPHX2 P34913 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
MMP9 P14780 1/20 0.43
LMNA P02545 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
SCHEMBL3368185 0.88 CA12 (0.57) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL29695319 0.84 CA12 (0.65) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL991695 0.82 CA1 (0.62) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL21625802 0.80 CA1 (0.77) CA1CA2CA12CA9
SCHEMBL21625809 0.80 CA1 (0.76) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL1519545 0.80 CA1 (0.57) CA1CA2SMN1; SMN2ALDH1A1EPHX2
Hydrochloric Acid SCHEMBL3371576 0.79 MMP1 (0.54) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL15616293 0.79 CA12 (0.61) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL15199006 0.78 CA1 (1.00) CA1CA2CA12CA9
SCHEMBL16604568 0.77 CA1 (0.52) CA1CA2CA12CA9SMN1; SMN2

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-20120252741-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BIOMARIN PHARMACEUTICAL INC. (US) 2012-10-04 US disclosed
US-20100105607-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-04-29 US disclosed
WO-2010048340-A2 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-04-29 WO 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 (2 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-20100105607-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS ASNS, ALG8, ALG1 CA1 2552/4885CA2 3594/4885CA12 993/4885
US-20120252741-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS ASNS, DNPEP, ALG8 CA1 2394/4885CA2 2937/4885CA12 767/4885

“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.