SCHEMBL4396451

SCHEMBL4396451

Cc1cc(C)c(C(=O)NCCCCCC(=O)ON2C(=O)CC(S(=O)(=O)O)C2=O)c(SSc2ccccn2)c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
CYP1A2 P05177 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL9136880 0.88 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL8741061 0.84 SMN1; SMN2 (0.32) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL9136872 0.81 HDAC3 (0.33) ALDH1A1SMN1; SMN2HDAC3HDAC1HDAC6
SCHEMBL44111 0.80 HPGD (0.37) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL29361373 0.80 HPGD (0.37) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL346020 0.79 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL30031578 0.79 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL321300 0.79 SMN1; SMN2 (0.35) ALDH1A1SMN1; SMN2HDAC3HDAC6NPC1
SCHEMBL7907413 0.79 NPC1 (0.34) ALDH1A1SMN1; SMN2HDAC3HDAC1HDAC6
SCHEMBL2283058 0.78 HPGD (0.46) ALDH1A1SMN1; SMN2L3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0701448-A4 AMPLIFICATION OF THE VITAMIN B 12? UPTAKE SYSTEM USING POLYMERS BIOTECH AUSTRALIA PTY LTD (AU) 1997-01-02 EP claimed
EP-0701448-A1 AMPLIFICATION OF THE VITAMIN B 12? UPTAKE SYSTEM USING POLYMERS BIOTECH AUSTRALIA PTY. LIMITED (AU) 1996-03-20 EP claimed
WO-1994027641-A1 AMPLIFICATION OF THE VITAMIN B12 UPTAKE SYSTEM USING POLYMERS BIOTECH AUSTRALIA PTY. LIMITED (AU) 1994-12-08 WO claimed
EP-2208737-B1 Complement factor H-derived short consensus repeat-antibody constructs LYSOMAB GMBH (AT) 2017-07-05 EP disclosed
EP-2152736-B1 COMPLEMENT FACTOR H-DERIVED SHORT CONSENSUS REPEAT-ANTIBODY CONSTRUCTS LYSOMAB GMBH (AT) 2017-07-05 EP disclosed
EP-2097529-A1 METHODS OF SELECTING AND PRODUCING MODIFIED TOXINS, CONJUGATES CONTAINING MODIFIED TOXINS AND USES THEREOF Osprey Pharmaceuticals USA, Inc. (US) 2009-09-09 EP disclosed
US-20090092578-A1 Methods of selecting and producing modified toxins, conjugates containing modified toxins, and uses thereof OSPREY PHARMACEUTICALS USA, INC. 2009-04-09 US disclosed
WO-2008080218-A9 METHODS OF SELECTING AND PRODUCING MODIFIED TOXINS, CONJUGATES CONTAINING MODIFIED TOXINS AND USES THEREOF OSPREY PHARMACEUTICALS LTD (CA) 2008-08-28 WO disclosed
WO-2008080218-A1 METHODS OF SELECTING AND PRODUCING MODIFIED TOXINS, CONJUGATES CONTAINING MODIFIED TOXINS AND USES THEREOF OSPREY PHARMACEUTICALS USA, INC. (US) 2008-07-10 WO disclosed
EP-1485500-A4 EFFICIENT SYNTHESIS OF PROTEIN-OLIGONUCLEOTIDE CONJUGATES BECKMAN COULTER INC (US) 2005-12-07 EP disclosed
EP-1485500-A2 EFFICIENT SYNTHESIS OF PROTEIN-OLIGONUCLEOTIDE CONJUGATES Beckman-Coulter, Inc. (US) 2004-12-15 EP disclosed
WO-2003035830-A2 EFFICIENT SYNTHESIS OF PROTEIN-OLIGONUCLEOTIDE CONJUGATES BECKMAN-COULTER, INC. (US) 2003-05-01 WO disclosed
US-6503886-B1 Gene delivery; polypeptide conjugated to fibroblast growth factor fused to nucleic acid SELECTIVE GENETICS, INC. 2003-01-07 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-20090092578-A1 Methods of selecting and producing modified toxins, conjugates containing modified toxins, and uses thereof TIAL1, PTMS, LTA ALDH1A1 4192/4885SMN1; SMN2 2689/4885HDAC3 2350/4885

“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.