SCHEMBL4454446

SCHEMBL4454446

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
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
HLCS P50747 6/20 0.57
CA12 O43570 6/20 0.44
CA1 P00915 6/20 0.44
CA2 P00918 6/20 0.44
CA9 Q16790 6/20 0.44

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
SCHEMBL1527196 1.00 TDP1 (0.58) TDP1MEN1ABL1LMNAPKM
SCHEMBL4740139 0.99 TDP1 (0.60) TDP1MEN1ABL1LMNAPKM
SCHEMBL425273 0.93 TDP1 (0.67) TDP1MEN1ABL1LMNAPKM
SCHEMBL30799994 0.91 HLCS (0.57) TDP1MEN1ABL1LMNAPKM
SCHEMBL4466074 0.88 HLCS (0.72) TDP1MEN1ABL1LMNAPKM
SCHEMBL1403829 0.88 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL5611457 0.87 TDP1 (0.60) TDP1MEN1ABL1LMNAPKM
Cysteine SCHEMBL8645728 0.87 TDP1 (0.56) TDP1MEN1ABL1LMNAPKM
SCHEMBL2350071 0.86 TDP1 (0.60) TDP1MEN1ABL1LMNAPKM
SCHEMBL3445951 0.86 TDP1 (0.54) TDP1MEN1ABL1LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578450-A4 AMPLIFICATION OF BIOTIN-MEDIATED TARGETING ACCESS PHARMACEUTICALS AUSTRAL (AU) 2009-06-17 EP disclosed
US-20060127310-A1 Amplification of biotin-mediated targeting ACCESS PHARMACEUTICALS AUSTRALIA PTY LTD. 2006-06-15 US 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

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-20060127310-A1 Amplification of biotin-mediated targeting BTD, HLCS, SLC1A5 TDP1 4434/4885MEN1 806/4885ABL1 1016/4885

“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.