SCHEMBL6912845

SCHEMBL6912845

COc1ccc(S(=O)(=O)N[C@@](C)(Cc2ccc([N+](=O)[O-])cc2)C(N)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.47
RAB9A P51151 1/20 0.47
BMP1 P13497 1/20 0.46
ALDH1A1 P00352 5/20 0.46
LMNA P02545 1/20 0.45
KMT2A Q03164 3/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TBXA2R P21731 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL6925851 0.88 ALDH1A1 (0.48) GAAMAPTALDH1A1LMNAKMT2A
SCHEMBL6926341 0.88 KMT2A (0.48) GAAMAPTRAB9AALDH1A1KMT2A
SCHEMBL4911967 0.74 ALDH1A1 (0.70) GAAPOLBALDH1A1LMNACYP3A4
SCHEMBL1309087 0.73 GAA (0.48) GAAPOLBMAPTRAB9AALDH1A1
SCHEMBL1309030 0.73 GAA (0.48) GAAPOLBMAPTRAB9AALDH1A1
SCHEMBL12653835 0.73 SAE1 (0.46) MAPTRAB9AALDH1A1LMNAKMT2A
SCHEMBL8139629 0.72 ALDH1A1 (0.49) GAAPOLBRAB9AALDH1A1LMNA
SCHEMBL16103917 0.72 MMP1 (0.45) MAPTRAB9AALDH1A1KMT2ACYP3A4
SCHEMBL16103893 0.72 HTT (0.45) MAPTRAB9AALDH1A1KMT2ACYP3A4
SCHEMBL6808541 0.72 ALDH1A1 (0.79) POLBMAPTRAB9AALDH1A1KMT2A

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 GAA 152/4885POLB 3615/4885MAPT 3227/4885

“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.