SCHEMBL6807314

SCHEMBL6807314

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.53
NPY5R Q15761 1/20 0.50
MMP1 P03956 3/20 0.49
MMP2 P08253 2/20 0.49
MMP9 P14780 2/20 0.49
MMP8 P22894 2/20 0.49
MMP13 P45452 1/20 0.49
F2 P00734 3/20 0.46
CCR3 P51677 4/20 0.44
ITGB3 P05106 1/20 0.43
ITGAV P06756 1/20 0.43
ADAM17 P78536 1/20 0.43
F10 P00742 1/20 0.42
MMP3 P08254 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
SCHEMBL6807324 1.00 TYMS (0.53) TYMSNPY5RMMP1MMP2MMP9
SCHEMBL6801914 0.83 NPY5R (0.52) NPY5RMMP1MMP2MMP9MMP8
SCHEMBL6801908 0.83 NPY5R (0.52) NPY5RMMP1MMP2MMP9MMP8
SCHEMBL6799543 0.83 MMP2 (0.55) MMP1MMP2MMP9MMP8MMP13
SCHEMBL6799552 0.83 MMP2 (0.55) MMP1MMP2MMP9MMP8MMP13
SCHEMBL3090740 0.79 MMP1 (0.53) TYMSMMP1MMP2MMP9MMP8
SCHEMBL6802343 0.78 TDP1 (0.56) MMP1MMP2MMP9MMP8MMP13
SCHEMBL6802333 0.78 TDP1 (0.56) MMP1MMP2MMP9MMP8MMP13
SCHEMBL3096614 0.77 MMP8 (0.48) TYMSMMP1MMP2MMP9MMP8
SCHEMBL6912842 0.76 POLB (0.56) MMP1MMP2MMP9MMP3

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
WO-2004074238-A1 PHENETHYLAMINO SULFAMIC ACIDS THE PROCTER & GAMBLE COMPANY (US) 2004-09-02 WO disclosed
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 TYMS 1731/4885NPY5R 1824/4885MMP1 857/4885

“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.