SCHEMBL6803446

SCHEMBL6803446

CC(C)(C)OC(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.64
CTSS P25774 7/20 0.55
CTSK P43235 6/20 0.55
CTSB P07858 2/20 0.55
CTSL P07711 1/20 0.55
PPARG P37231 1/20 0.55
PPARA Q07869 1/20 0.55
ITGA4 P13612 1/20 0.50
ITGB7 P26010 1/20 0.50
SSTR3 P32745 1/20 0.49
AKT1 P31749 1/20 0.49
BCL2 P10415 2/20 0.49
MCL1 Q07820 1/20 0.49
ACE P12821 1/20 0.48

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
SCHEMBL6803437 1.00 HDAC8 (0.64) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL3008259 0.96 HDAC8 (0.59) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL3008254 0.96 HDAC8 (0.59) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL6409791 0.95 CTSS (0.60) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL5163314 0.95 CTSS (0.60) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL18444303 0.91 PPARG (0.57) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL18444304 0.91 PPARG (0.57) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL28586432 0.91 PPARG (0.57) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL18474966 0.89 PPARG (0.55) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL28590389 0.89 PPARG (0.55) HDAC8CTSSCTSKCTSBCTSL

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 HDAC8 3002/4885CTSS 1861/4885CTSK 2457/4885

“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.