SCHEMBL4466074

SCHEMBL4466074

CCCCCCC(CCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HLCS P50747 6/20 0.72
TDP1 Q9NUW8 6/20 0.58
MEN1 O00255 1/20 0.58
ABL1 P00519 1/20 0.58
LMNA P02545 1/20 0.58
PKM P14618 1/20 0.58
IDE P14735 1/20 0.58
MAPK1 P28482 1/20 0.58
KMT2A Q03164 1/20 0.58
RIN1 Q13671 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42

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
SCHEMBL30455288 0.94 HLCS (0.63) HLCSTDP1MEN1ABL1LMNA
SCHEMBL425273 0.93 TDP1 (0.67) HLCSTDP1MEN1ABL1LMNA
Hydrochloric Acid SCHEMBL30315673 0.88 HLCS (0.69) HLCSTDP1MEN1ABL1LMNA
SCHEMBL4454446 0.88 TDP1 (0.58) HLCSTDP1MEN1ABL1LMNA
SCHEMBL1527196 0.88 TDP1 (0.58) HLCSTDP1MEN1ABL1LMNA
SCHEMBL1403829 0.88 TDP1 (0.77) HLCSTDP1MEN1ABL1LMNA
SCHEMBL4740139 0.87 TDP1 (0.60) HLCSTDP1MEN1ABL1LMNA
SCHEMBL15020036 0.85 HLCS (0.65) HLCSTDP1MEN1ABL1LMNA
SCHEMBL5611457 0.85 TDP1 (0.60) HLCSTDP1MEN1ABL1LMNA
SCHEMBL12654818 0.85 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3010534-A2 PHARMACEUTICAL FORMULATIONS AND METHODS FOR ORAL DELIVERY OF BIOLOGICALLY ACTIVE INGREDIENT Transgene Biotek Tld (IN) 2016-04-27 EP claimed
WO-2014203156-A2 PHARMACEUTICAL FORMULATIONS AND METHODS FOR ORAL DELIVERY OF BIOLOGICALLY ACTIVE INGREDIENT TRANSGENE BIOTEK TLD (IN) 2014-12-24 WO claimed
EP-1578450-A4 AMPLIFICATION OF BIOTIN-MEDIATED TARGETING ACCESS PHARMACEUTICALS AUSTRAL (AU) 2009-06-17 EP claimed
EP-1578450-A1 AMPLIFICATION OF BIOTIN-MEDIATED TARGETING Access Pharmaceuticals Australia Pty Ltd (AU) 2005-09-28 EP claimed
WO-2004045647-A1 AMPLIFICATION OF BIOTIN-MEDIATED TARGETING ACCESS PHARMACEUTICALS AUSTRALIA PTY LTD (AU) 2004-06-03 WO claimed
CN-114796254-A Spinosad derivative serving as arginine succinate synthetase activator and application thereof 中南大学 2022-07-29 CN disclosed
CN-111632061-B Spinosad derivative serving as argininosuccinate synthetase activator and application thereof 中南大学 2022-04-29 CN disclosed
EP-1578450-A4 AMPLIFICATION OF BIOTIN-MEDIATED TARGETING ACCESS PHARMACEUTICALS AUSTRAL (AU) 2009-06-17 EP disclosed
EP-1578450-A1 AMPLIFICATION OF BIOTIN-MEDIATED TARGETING Access Pharmaceuticals Australia Pty Ltd (AU) 2005-09-28 EP disclosed
WO-2004045647-A1 AMPLIFICATION OF BIOTIN-MEDIATED TARGETING ACCESS PHARMACEUTICALS AUSTRALIA PTY LTD (AU) 2004-06-03 WO disclosed
US-6680054-B1 SIALIC ACID DERIVATIVE FUNCTIONALIZED VIA 7-POSITION; INFLUENZA ANTIVIRAL AGENT BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2004-01-20 US disclosed