SCHEMBL6801908

SCHEMBL6801908

CNC(=O)[C@H](Cc1ccc(NS(=O)(=O)O)cc1)NS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.52
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
TSHR P16473 1/20 0.47
F2 P00734 2/20 0.47
F10 P00742 3/20 0.46
PLAU P00749 1/20 0.45
PLG P00747 1/20 0.45
ADAM17 P78536 1/20 0.44
PTPRB P23467 3/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
HDAC1 Q13547 1/20 0.43
PGR P06401 1/20 0.42
USP30 Q70CQ3 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
SCHEMBL6801914 1.00 NPY5R (0.52) NPY5RMMP1MMP2MMP9MMP8
SCHEMBL6807324 0.83 TYMS (0.53) NPY5RMMP1MMP2MMP9MMP8
SCHEMBL6807314 0.83 TYMS (0.53) NPY5RMMP1MMP2MMP9MMP8
SCHEMBL6804556 0.82 HDAC1 (0.55) MMP1MMP2MMP9PTPRBHDAC1
SCHEMBL6804558 0.82 HDAC1 (0.55) MMP1MMP2MMP9PTPRBHDAC1
SCHEMBL6802184 0.81 CTSB (0.52) PTPRB
SCHEMBL6802191 0.81 CTSB (0.52) PTPRB
SCHEMBL14943543 0.77 NPY5R (0.56) NPY5RMMP1MMP2MMP9MMP8
SCHEMBL27146770 0.77 MMP2 (0.59) NPY5RMMP1MMP2MMP9MMP8
SCHEMBL27146771 0.77 MMP2 (0.59) NPY5RMMP1MMP2MMP9MMP8

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-20040167183-A1 Phenethylamino sulfamic acids THE PROCTER & GAMBLE COMPANY 2004-08-26 US claimed
US-20040167183-A1 Phenethylamino sulfamic acids THE PROCTER & GAMBLE COMPANY 2004-08-26 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-20040167183-A1 Phenethylamino sulfamic acids PTPRM, PTPRS, PTPRE NPY5R 1824/4885MMP1 857/4885MMP2 630/4885

“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.