SCHEMBL6797739

SCHEMBL6797739

CNC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.54
FCER2 P06734 1/20 0.54
ITGA4 P13612 6/20 0.53
ITGB7 P26010 6/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
PTPN1 P18031 2/20 0.51
PTPRF P10586 1/20 0.51
PTPN2 P17706 1/20 0.51
PTPN11 Q06124 1/20 0.51
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MMP3 P08254 1/20 0.48
PSMB5 P28074 1/20 0.48
MMP2 P08253 1/20 0.47
MAPT P10636 1/20 0.46
MEP1B Q16820 1/20 0.45

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
SCHEMBL6797746 1.00 MMP1 (0.54) MMP1FCER2ITGA4ITGB7MEN1
SCHEMBL4926892 0.89 MEP1B (0.58) MMP1FCER2ITGA4ITGB7MEN1
SCHEMBL4926907 0.89 MEP1B (0.58) MMP1FCER2ITGA4ITGB7MEN1
SCHEMBL6807036 0.86 ANPEP (0.60) MMP1FCER2MEN1KMT2ANPC1
SCHEMBL6807041 0.86 ANPEP (0.60) MMP1FCER2MEN1KMT2ANPC1
SCHEMBL6806963 0.85 ITGA4 (0.59) ITGA4ITGB7MEN1KMT2ANPC1
SCHEMBL6801977 0.85 ITGA4 (0.59) ITGA4ITGB7MEN1KMT2ANPC1
SCHEMBL6828040 0.83 MEN1 (0.70) MMP1FCER2MEN1KMT2APTPN1
SCHEMBL6828028 0.83 MEN1 (0.70) MMP1FCER2MEN1KMT2APTPN1
SCHEMBL1096514 0.83 CA2 (0.55) ITGA4ITGB7MEN1KMT2APTPN1

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 MMP1 857/4885FCER2 3290/4885ITGA4 4015/4885

“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.