SCHEMBL6801249

SCHEMBL6801249

Cc1ccc(S(=O)(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.77
MEN1 O00255 5/20 0.77
KMT2A Q03164 5/20 0.77
CA1 P00915 2/20 0.75
CA2 P00918 2/20 0.75
RAB9A P51151 1/20 0.69
MAPT P10636 2/20 0.66
GAA P10253 2/20 0.66
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
KDM1A O60341 1/20 0.56
MAOA P21397 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
BCHE P06276 1/20 0.55
ACHE P22303 1/20 0.55
PKM P14618 1/20 0.54
HTT P42858 1/20 0.54

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
SCHEMBL17974011 0.88 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL6803445 0.87 CA1 (0.77) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL9328712 0.86 CA1 (0.75) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL4618119 0.86 SFRP1 (0.66) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL6808541 0.85 ALDH1A1 (0.79) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL10523653 0.85 ALDH1A1 (0.79) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL10463532 0.83 CA1 (0.71) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL30224947 0.82 CA1 (0.72) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL6800006 0.82 CA1 (0.62) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL6803886 0.81 ALDH1A1 (0.84) ALDH1A1MEN1KMT2ACA1CA2

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 ALDH1A1 622/4885MEN1 4379/4885KMT2A 2262/4885

“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.