SCHEMBL6800878

SCHEMBL6800878

CC(C)(C)OC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.53
PPARG P37231 2/20 0.53
CTSS P25774 3/20 0.51
CTSK P43235 2/20 0.51
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
ITGA4 P13612 1/20 0.51
ITGB7 P26010 1/20 0.51
ACE P12821 1/20 0.49
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
MC4R P32245 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PSEN1 P49768 2/20 0.46
PSEN2 P49810 2/20 0.46
APH1B Q8WW43 2/20 0.46
NCSTN Q92542 2/20 0.46
APH1A Q96BI3 2/20 0.46
PSENEN Q9NZ42 2/20 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
SCHEMBL6800882 1.00 PPARA (0.53) PPARAPPARGCTSSCTSKCTSL
SCHEMBL6805049 0.91 PPARG (0.52) PPARAPPARGCTSSCTSKCTSL
SCHEMBL6805054 0.91 PPARG (0.52) PPARAPPARGCTSSCTSKCTSL
SCHEMBL6917446 0.85 CTSS (0.55) PPARAPPARGCTSSCTSKCTSL
SCHEMBL6830867 0.85 CTSS (0.55) PPARAPPARGCTSSCTSKCTSL
SCHEMBL6804057 0.85 PPARG (0.56) PPARAPPARGCTSSCTSKCTSL
SCHEMBL6804068 0.85 PPARG (0.56) PPARAPPARGCTSSCTSKCTSL
SCHEMBL6796934 0.84 PPARA (0.49) PPARAPPARGCTSSCTSKCTSL
SCHEMBL440723 0.84 PPARA (0.68) PPARAPPARGCTSSCTSKCTSL
SCHEMBL199415 0.84 PPARA (0.68) PPARAPPARGCTSSCTSKCTSL

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 PPARA 1031/4885PPARG 1041/4885CTSS 1861/4885

“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.