SCHEMBL6803864

SCHEMBL6803864

CC(C)=CCN(CCc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.50
CNR2 P34972 4/20 0.48
ACHE P22303 2/20 0.45
BCHE P06276 1/20 0.45
MMP1 P03956 2/20 0.45
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
MMP8 P22894 2/20 0.45
MMP13 P45452 2/20 0.45
CA9 Q16790 3/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
CA14 Q9ULX7 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
SCHEMBL6807719 0.85 CNR2 (0.51) BMP1CNR2CA9CA12CA1
SCHEMBL6801648 0.81 MMP1 (0.61) BMP1CNR2MMP1MMP2MMP9
SCHEMBL6801277 0.81 CNR2 (0.47) BMP1CNR2CA9CA12CA1
SCHEMBL6797972 0.79 CNR2 (0.79) CNR2MMP1MMP2MMP9MMP8
SCHEMBL6804511 0.78 ALDH1A1 (0.56) BMP1CNR2MMP1MMP2MMP9
SCHEMBL6806990 0.74 PKM (0.52) BMP1CNR2ACHEBCHEMMP1
SCHEMBL6802678 0.71 BMP1 (0.46) BMP1CNR2ACHEBCHEMMP1
SCHEMBL7655225 0.71 ACHE (0.75) ACHEBCHEPKMHSD17B10ALDH1A1
SCHEMBL12330055 0.70 GLA (0.50) CNR2MMP1MMP9MMP13ALDH1A1
SCHEMBL8141815 0.70 CA9 (0.47) BMP1ACHEBCHEMMP1MMP2

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 BMP1 3163/4885CNR2 4684/4885ACHE 3939/4885

“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.