SCHEMBL6800802

SCHEMBL6800802

Cc1ccc(S(=O)(=O)N(CCc2ccc(NS(=O)(=O)O)cc2)C(=O)c2ccc(NS(=O)(=O)O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
LIMK2 P53671 2/20 0.47
CNR2 P34972 2/20 0.44
TAS2R14 Q9NYV8 2/20 0.44
MAPT P10636 5/20 0.43
TP53 P04637 2/20 0.43
HPGD P15428 1/20 0.43
LIMK1 P53667 1/20 0.43
PTGER1 P34995 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL6803488 0.94 LIMK2 (0.49) ALDH1A1LIMK2CNR2TAS2R14MAPT
SCHEMBL6804073 0.83 CNR2 (0.48) ALDH1A1CNR2TAS2R14MAPTTP53
SCHEMBL6796826 0.82 PTPRB (0.45) ALDH1A1CNR2MAPTTP53PTGER1
SCHEMBL6806990 0.80 PKM (0.52) ALDH1A1CNR2TAS2R14MAPTHPGD
SCHEMBL6808058 0.79 ALDH1A1 (0.53) ALDH1A1CNR2TP53MEN1KMT2A
SCHEMBL6830704 0.78 CNR2 (0.50) ALDH1A1CNR2TAS2R14TP53MEN1
SCHEMBL6803763 0.76 CNR2 (0.48) ALDH1A1CNR2MAPTTP53MEN1
SCHEMBL6802688 0.76 CNR2 (0.75) CNR2TAS2R14MAPTTP53MEN1
SCHEMBL6798304 0.76 THRB (0.51) ALDH1A1CNR2MAPTTP53MEN1
SCHEMBL6801277 0.75 CNR2 (0.47) ALDH1A1CNR2MAPTTP53PTGER1

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 3 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 claimed
US-20040167183-A1 Phenethylamino sulfamic acids THE PROCTER & GAMBLE COMPANY 2004-08-26 US claimed
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 622/4885LIMK2 3523/4885CNR2 4684/4885

“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.