SCHEMBL6005733

SCHEMBL6005733

O=S(=O)(N[C@@H](c1ccccc1)[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.50
PTPN7 P35236 1/20 0.50
PTPN12 Q05209 1/20 0.50
PTPN13 Q12923 1/20 0.50
SSU72 Q9NP77 1/20 0.50
EEF2K O00418 2/20 0.49
TACR1 P25103 7/20 0.49
NPSR1 Q6W5P4 1/20 0.46
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
CNR1 P21554 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
SCHEMBL13506600 0.87 TACR1 (0.43) ACP1PTPN7PTPN12PTPN13SSU72
SCHEMBL30434012 0.79 SLC1A3 (0.59) EEF2KNPSR1SLC1A3SLC1A2CA1
SCHEMBL2067888 0.77 MMP2 (0.53) NPSR1SLC1A3SLC1A2CA1CA2
SCHEMBL30688764 0.77 EEF2K (0.57) EEF2KSLC1A3SLC1A2MAPTCA1
SCHEMBL7589345 0.73 MEN1 (0.57) NPSR1MAPTPPARG
SCHEMBL13623382 0.72 CA1 (0.47) ACP1NPSR1MAPTTDP1CA1
SCHEMBL7691895 0.71 TACR1 (0.55) ACP1PTPN7PTPN12PTPN13SSU72
SCHEMBL7093232 0.71 MMP2 (0.47) NPSR1SLC1A3SLC1A2MAPTCA1
SCHEMBL30311815 0.71 CNR1 (0.41) ACP1PTPN7PTPN12PTPN13SSU72
SCHEMBL12789659 0.71 CNR1 (0.41) ACP1PTPN7PTPN12PTPN13SSU72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105509-B2 Benzodiazepine derivatives as APP modulators MERCK SHARP & DOHME LIMITED (GB) 2006-09-12 US disclosed
US-20040082572-A1 Benzodiazepine derivatives as app modulators MERCK SHARPE & DOHME LIMITED (GB) 2004-04-29 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-20040082572-A1 Benzodiazepine derivatives as app modulators BACE1, PSEN1, APP ACP1 4142/4885PTPN7 4585/4885PTPN12 4516/4885

“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.