SCHEMBL6807936

SCHEMBL6807936

CC(C)(C)OC(=O)N(CCc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.42
MMP2 P08253 4/20 0.42
MMP9 P14780 4/20 0.42
MMP8 P22894 4/20 0.42
MMP13 P45452 4/20 0.42
KCNH2 Q12809 2/20 0.40
BMP1 P13497 1/20 0.40
NR1D1 P20393 1/20 0.39
PTPN1 P18031 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL6803115 0.85 KCNA5 (0.41) KMT2ATDP1
SCHEMBL6800867 0.83 MMP1 (0.43) MMP1MMP2MMP9MMP8MMP13
SCHEMBL6799662 0.83 MMP1 (0.47) MMP1MMP2MMP9MMP8MMP13
SCHEMBL6802678 0.82 BMP1 (0.46) MMP1MMP2MMP9MMP8MMP13
SCHEMBL6798073 0.82 PTPRB (0.44) KCNH2PTPN1KMT2A
SCHEMBL2593275 0.76 CRHBP (0.54) KCNH2NR1D1ALDH1A1KMT2A
SCHEMBL16682344 0.76 KCNH2 (0.53) MMP1MMP2MMP9MMP8MMP13
SCHEMBL992030 0.75 KCNH2 (0.50) KCNH2NR1D1ALDH1A1KMT2ATDP1
SCHEMBL27965202 0.74 MMP1 (0.48) MMP1MMP2MMP9MMP8MMP13
SCHEMBL16796534 0.73 KCNH2 (0.50) KCNH2NR1D1ALDH1A1

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 857/4885MMP2 630/4885MMP9 2969/4885

“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.