SCHEMBL6808541

SCHEMBL6808541

COc1ccc(S(=O)(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.79
SMN1; SMN2 Q16637 2/20 0.79
CA1 P00915 2/20 0.70
CA2 P00918 2/20 0.70
POLB P06746 2/20 0.69
MAPT P10636 1/20 0.60
RAB9A P51151 1/20 0.60
PKM P14618 1/20 0.58
TP53 P04637 1/20 0.56
KMT2A Q03164 2/20 0.56
CA12 O43570 1/20 0.56
CA5A P35218 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
MEN1 O00255 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KCNJ1 P48048 1/20 0.55
KCNH2 Q12809 1/20 0.55

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
SCHEMBL10523653 1.00 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2CA1CA2POLB
SCHEMBL7113122 0.89 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2CA1CA2POLB
SCHEMBL4911967 0.86 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2CA1CA2POLB
SCHEMBL6801249 0.85 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2CA1CA2MAPT
SCHEMBL15619063 0.83 ALDH1A1 (0.88) ALDH1A1SMN1; SMN2CA1CA2POLB
SCHEMBL11335294 0.83 ALDH1A1 (0.88) ALDH1A1SMN1; SMN2CA1CA2POLB
SCHEMBL6803445 0.83 CA1 (0.77) ALDH1A1CA1CA2MAPTKMT2A
SCHEMBL4692707 0.83 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2CA1CA2POLB
SCHEMBL10523408 0.82 ALDH1A1 (0.86) ALDH1A1SMN1; SMN2CA1CA2POLB
SCHEMBL29259801 0.82 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2CA1CA2POLB

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 622/4885SMN1; SMN2 1642/4885CA1 2299/4885

“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.