SCHEMBL3369995

SCHEMBL3369995

CCCCCOc1ccc(S(=O)(=O)NC(=O)CNC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.58
ADAMTS4 O75173 1/20 0.58
MMP2 P08253 1/20 0.58
MMP13 P45452 1/20 0.58
MMP14 P50281 1/20 0.58
ADAMTS5 Q9UNA0 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
CTDSP1 Q9GZU7 1/20 0.52
LMNA P02545 3/20 0.50
ALDH1A1 P00352 2/20 0.48
TSHR P16473 3/20 0.48
TP53 P04637 1/20 0.48
PLA2G4B P0C869 1/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CA7 P43166 1/20 0.47
MMP3 P08254 1/20 0.47
GAA P10253 1/20 0.46

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 0.85 CA12 (0.57) MMP1ADAMTS4MMP2MMP13MMP14
Hydrochloric Acid SCHEMBL3367813 0.83 MMP1 (0.59) MMP1ADAMTS4MMP2MMP13MMP14
Hydrochloric Acid SCHEMBL3371576 0.79 MMP1 (0.54) MMP1ADAMTS4MMP2MMP13MMP14
SCHEMBL9179919 0.77 SMN1; SMN2 (0.55) MMP1ADAMTS4MMP2MMP13MMP14
SCHEMBL2481161 0.76 ADAMTS4 (0.54) MMP1ADAMTS4MMP2MMP13MMP14
SCHEMBL3372238 0.75 CA1 (0.63) MMP1ADAMTS4MMP2MMP13MMP14
SCHEMBL16058300 0.75 EGFR (0.54) MMP1MMP2MMP13SMN1; SMN2CA1
SCHEMBL28415735 0.74 SMN1; SMN2 (0.71) MMP1ADAMTS4MMP2MMP13MMP14
SCHEMBL7414039 0.74 MMP1 (1.00) MMP1ADAMTS4MMP2MMP13MMP14
SCHEMBL7784533 0.74 SMN1; SMN2 (0.57) MMP1ADAMTS4MMP2MMP13MMP14

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 MMP1 3734/4885ADAMTS4 1752/4885MMP2 1875/4885
US-20120252741-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS ASNS, DNPEP, ALG8 MMP1 3755/4885ADAMTS4 1956/4885MMP2 2052/4885

“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.