SCHEMBL991824

SCHEMBL991824

CCCCCCOc1ccc(S(=O)(=O)NCCCCCCN=C=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 8/20 0.49
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
PKM P14618 1/20 0.49
HTT P42858 5/20 0.47
LMNA P02545 4/20 0.47
MAPK1 P28482 1/20 0.47
TSHR P16473 4/20 0.47
KCNA5 P22460 1/20 0.46
KCNH2 Q12809 1/20 0.46
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CA12 O43570 1/20 0.44

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
SCHEMBL992813 1.00 MEN1 (0.54) MEN1KMT2AALDH1A1ADAMTS4MMP1
SCHEMBL992887 1.00 MEN1 (0.54) MEN1KMT2AALDH1A1ADAMTS4MMP1
SCHEMBL990936 0.99 MEN1 (0.55) MEN1KMT2AALDH1A1ADAMTS4MMP1
SCHEMBL9078385 0.85 MEN1 (0.63) MEN1KMT2AALDH1A1ADAMTS4MMP1
SCHEMBL991628 0.83 LMNA (0.57) MEN1KMT2AALDH1A1HTTLMNA
SCHEMBL990335 0.83 LMNA (0.57) MEN1KMT2AALDH1A1HTTLMNA
SCHEMBL991980 0.82 MEN1 (0.60) MEN1KMT2AALDH1A1ADAMTS4MMP1
SCHEMBL3374629 0.82 MEN1 (0.60) MEN1KMT2AALDH1A1ADAMTS4MMP1
SCHEMBL3369963 0.80 MEN1 (0.61) MEN1KMT2AALDH1A1ADAMTS4MMP1
SCHEMBL3372068 0.79 MEN1 (0.59) MEN1KMT2AALDH1A1ADAMTS4MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011140009-A1 METHODS OF USING SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BIOMARIN PHARMACEUTICAL INC. (US) 2011-11-10 WO disclosed
EP-2373694-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BioMarin Pharmaceutical Inc. (US) 2011-10-12 EP disclosed
US-20110015119-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2011-01-20 US disclosed
WO-2010065174-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-06-10 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 (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 MEN1 2869/4885KMT2A 1574/4885ALDH1A1 3289/4885

“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.