SCHEMBL6433997

SCHEMBL6433997

CCCOC(=O)[C@H](N)CS(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
STS P08842 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GCLC P48506 1/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL20528274 0.84 TP53 (0.39) TP53STSCA1CA2ALDH1A1
SCHEMBL951149 0.84 TP53 (0.39) TP53STSCA1CA2ALDH1A1
SCHEMBL29854624 0.82 TSHR (0.33) TSHR
Hydrochloric Acid SCHEMBL2212116 0.82 TP53 (0.38) TP53CA1CA2ALDH1A1GCLC
Hydrochloric Acid SCHEMBL2212113 0.82 TP53 (0.38) TP53CA1CA2ALDH1A1GCLC
SCHEMBL8217652 0.80 CHRM1 (0.48) LMNACHRM1TSHR
SCHEMBL1786589 0.78 CA14 (0.39) TP53CA1CA2ALDH1A1
SCHEMBL1786590 0.78 CA14 (0.39) TP53CA1CA2ALDH1A1
SCHEMBL3766175 0.78 CA14 (0.39) TP53CA1CA2ALDH1A1
SCHEMBL12582831 0.77 HCAR2 (0.39) STSCA1CA2HCAR2ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603549-A2 IMPROVED BIOAVAILABILITY AND IMPROVED DELIVERY OF ACIDIC PHARMACEUTICAL DRUGS Yu, Ruey J., Dr. (US) 2005-12-14 EP claimed
US-20040220264-A1 Bioavailability and improved delivery of acidic pharmaceutical drugs YU RUEY J 2004-11-04 US claimed
WO-2004082628-A2 IMPROVED BIOAVAILABILITY AND IMPROVED DELIVERY OF ACIDIC PHARMACEUTICAL DRUGS YU RUEY J (US) 2004-09-30 WO claimed
EP-1603549-A2 IMPROVED BIOAVAILABILITY AND IMPROVED DELIVERY OF ACIDIC PHARMACEUTICAL DRUGS Yu, Ruey J., Dr. (US) 2005-12-14 EP disclosed
US-20040220264-A1 Bioavailability and improved delivery of acidic pharmaceutical drugs YU RUEY J 2004-11-04 US disclosed
WO-2004082628-A2 IMPROVED BIOAVAILABILITY AND IMPROVED DELIVERY OF ACIDIC PHARMACEUTICAL DRUGS YU RUEY J (US) 2004-09-30 WO disclosed