SCHEMBL6802912

SCHEMBL6802912

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)Nc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.69
CTSS P25774 8/20 0.60
CTSK P43235 7/20 0.60
CTSB P07858 3/20 0.60
CTSL P07711 2/20 0.60
AKT1 P31749 1/20 0.53
ACE P12821 1/20 0.52
REN P00797 3/20 0.51
HDAC4 P56524 2/20 0.51
HDAC1 Q13547 2/20 0.51
ITGB3 P05106 1/20 0.51
ITGB1 P05556 1/20 0.51
ITGAV P06756 1/20 0.51
ITGA2B P08514 1/20 0.51
ITGB5 P18084 1/20 0.51
BCL2 P10415 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49

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
SCHEMBL6802920 1.00 HDAC8 (0.69) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL3006406 0.95 HDAC8 (0.63) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL3006410 0.95 HDAC8 (0.63) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL3944495 0.92 HDAC8 (0.72) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL9610766 0.92 HDAC8 (0.72) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL18444069 0.90 HDAC8 (0.57) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL18444068 0.90 HDAC8 (0.57) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL21387282 0.90 HDAC8 (0.57) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL28219054 0.88 HDAC8 (0.69) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL28219053 0.88 HDAC8 (0.69) 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.