SCHEMBL6801967

SCHEMBL6801967

O=[N+]([O-])c1ccc(CCNS(=O)(=O)c2ccccc2F)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
ALDH1A1 P00352 4/20 0.58
LMNA P02545 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
HTT P42858 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
MAPT P10636 1/20 0.47
F13A1 P00488 1/20 0.47
TGM2 P21980 1/20 0.47
CA12 O43570 1/20 0.46
CA4 P22748 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL6803445 0.81 CA1 (0.77) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL3374012 0.78 ALDH1A1 (0.80) CA1CA2ALDH1A1LMNAMEN1
SCHEMBL5187886 0.78 TAAR1 (0.49) ALDH1A1MEN1KMT2AHTTTAAR1
SCHEMBL6808050 0.77 CA1 (0.63) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL1241201 0.76 ALDH1A1 (0.73) CA1CA2ALDH1A1LMNAMEN1
SCHEMBL17241386 0.76 ALDH1A1 (0.73) CA1CA2ALDH1A1LMNAMEN1
SCHEMBL6800006 0.76 CA1 (0.62) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL15660246 0.75 ALDH1A1 (0.62) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL6804800 0.75 MAPT (0.58) CA1CA2ALDH1A1LMNAMEN1
SCHEMBL10494724 0.75 MAPT (0.58) CA1CA2ALDH1A1LMNAMEN1

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 CA1 2299/4885CA2 1472/4885ALDH1A1 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.