SCHEMBL6797972

SCHEMBL6797972

Cc1ccc(S(=O)(=O)N(CCc2ccc([N+](=O)[O-])cc2)Cc2ccccc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.79
KMT2A Q03164 2/20 0.60
ALDH1A1 P00352 1/20 0.60
MAPK1 P28482 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
TAS2R14 Q9NYV8 2/20 0.56
CNR1 P21554 2/20 0.55
POLB P06746 2/20 0.54
MEN1 O00255 1/20 0.54
MMP1 P03956 1/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
MMP13 P45452 1/20 0.53
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL6804193 0.84 CNR2 (0.85) CNR2KMT2ATAS2R14CNR1POLB
SCHEMBL6801648 0.83 MMP1 (0.61) CNR2KMT2AALDH1A1MEN1MMP1
SCHEMBL15677732 0.81 ALDH1A1 (0.69) CNR2KMT2AALDH1A1MAPK1TDP1
SCHEMBL6803864 0.79 BMP1 (0.50) CNR2KMT2AALDH1A1MAPK1TDP1
SCHEMBL6802682 0.79 CNR2 (0.75) CNR2KMT2ATAS2R14CNR1POLB
SCHEMBL6802688 0.79 CNR2 (0.75) CNR2KMT2ATAS2R14CNR1POLB
SCHEMBL15677249 0.79 KMT2A (0.62) CNR2KMT2AALDH1A1MAPK1TDP1
SCHEMBL16710114 0.78 CRHBP (0.60) ALDH1A1
SCHEMBL6804511 0.77 ALDH1A1 (0.56) CNR2KMT2AALDH1A1MAPK1TDP1
SCHEMBL9594878 0.77 CNR2 (0.72) CNR2KMT2ATAS2R14POLBMEN1

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 CNR2 4684/4885KMT2A 2262/4885ALDH1A1 622/4885

“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.