SCHEMBL6036972

SCHEMBL6036972

CN(CCCCCC(=O)O)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.76
▸ MEN1 O00255 1/20 0.76
▸ ABL1 P00519 1/20 0.76
▸ LMNA P02545 1/20 0.76
▸ PKM P14618 1/20 0.76
▸ IDE P14735 1/20 0.76
▸ MAPK1 P28482 1/20 0.76
▸ KMT2A Q03164 1/20 0.76
▸ RIN1 Q13671 1/20 0.76
▸ L3MBTL1 Q9Y468 1/20 0.76
▸ HLCS P50747 6/20 0.57
▸ CA12 O43570 7/20 0.52
▸ CA1 P00915 7/20 0.52
▸ CA2 P00918 7/20 0.52
▸ CA9 Q16790 7/20 0.52
▸ FOLH1 Q04609 1/20 0.47

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
SCHEMBL15123570 1.00 TDP1 (0.76) TDP1MEN1ABL1LMNAPKM
SCHEMBL15130513 0.91 TDP1 (0.61) TDP1MEN1ABL1LMNAPKM
SCHEMBL903554 0.91 TDP1 (0.79) TDP1MEN1ABL1LMNAPKM
SCHEMBL903561 0.88 TDP1 (0.79) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL30089573 0.88 TDP1 (0.97) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL8071606 0.88 TDP1 (0.97) TDP1MEN1ABL1LMNAPKM
SCHEMBL4320917 0.88 TDP1 (0.97) TDP1MEN1ABL1LMNAPKM
SCHEMBL16141190 0.88 TDP1 (0.97) TDP1MEN1ABL1LMNAPKM
SCHEMBL1726093 0.87 TDP1 (0.73) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL23055065 0.87 TDP1 (1.00) 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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190268-A1 BIOTINYLATED POLYSACCHARIDES HAVING AN ANTITHROMBOTIC ACTIVITY AND IMPROVED METABOLIC STABILITY SANOFI (FR) 2013-07-25 — — US disclosed
WO-2012042123-A1 BIOTINYLATED POLYSACCHARIDES HAVING AN ANTITHROMBOTIC ACTIVITY AND IMPROVED METABOLIC STABILITY SANOFI (FR) 2012-04-05 — — WO disclosed
US-7078013-B2 Pretargeting methods and compounds ALETHEON PHARMACEUTICALS, INC. (US) 2006-07-18 — — US disclosed
US-6908903-B1 Cluster clearing agents ALETHEON PHARMACEUTICALS, INC. (US) 2005-06-21 — — US disclosed
US-20040241172-A1 Pretargeting methods and compounds NEORX CORPORATION (US) 2004-12-02 — — US disclosed
US-6709652-B2 RADIOACTIVE LABELING OF BIOTIN NEORX CORPORATION 2004-03-23 — — US disclosed
US-20030129191-A1 Pretargeting methods and compounds NEORX CORPORATION (US) 2003-07-10 — — US disclosed
US-20030099640-A1 Three-step pretargeting methods and compounds NEORX CORPORATION (US) 2003-05-29 — — US disclosed
EP-0646019-B9 Biotin-DOTA conjugates and their use in pretargeting methods NEORX CORP (US) 2002-12-18 — — EP disclosed
US-6416738-B1 ADMINISTERING TO A RECIPIENT A FIRST CONJUGATE COMPRISING A TARGETING MOIETY AND A MEMBER OF A LIGAND/ANTI-LIGAND BINDING PAIR, THEREAFTER ADMINISTERING TO THE RECIPIENT A CLEARING AGENT, ADMINISTERING SECOND CONJUGATE NEORX CORPORATION 2002-07-09 — — US disclosed
EP-0743956-A1 PRETARGETING METHODS AND COMPOUNDS NeoRx (US) 1996-11-27 — — EP disclosed
US-5578287-A COMPOUNDS FOR MEDICAL DIAGNOSIS AND TARGETS AND ANTIBODIES NEORX CORPORATION (US) 1996-11-26 — — US disclosed
EP-0736035-A1 PRETARGETING METHODS AND COMPOUNDS NEORX CORPORATION (US) 1996-10-09 — — EP disclosed
EP-0732943-A1 THREE-STEP PRETARGETING METHODS AND COMPOUNDS NEORX CORPORATION (US) 1996-09-25 — — EP disclosed
US-5541287-A DIAGNOSIS USING CYCLIC TRIPEPTIDES WITH NITROBENZYL 1,4,7,10-TETRAAZACYCLODODECANE-N,N*,N**,N***TETRAACETIC ACID BIOTIN CONJUGATE FORMED BY ALKYLATION AND MULTISTAGE PROCESS NEORX CORPORATION (US) 1996-07-30 — — US disclosed
WO-1995015978-A1 PRETARGETING METHODS AND COMPOUNDS NEORX CORPORATION (US) 1995-06-15 — — WO disclosed
WO-1995015335-A2 PRETARGETING METHODS AND COMPOUNDS NEORX CORPORATION (US) 1995-06-08 — — WO disclosed
WO-1995014493-A1 THREE-STEP PRETARGETING METHODS AND COMPOUNDS NEORX CORPORATION (US) 1995-06-01 — — WO disclosed
EP-0646019-A1 PRETARGETING METHODS AND COMPOUNDS NEORX CORPORATION (US) 1995-04-05 — — EP disclosed
WO-1993025240-A2 PRETARGETING METHODS AND COMPOUNDS NEORX CORPORATION (US) 1993-12-23 — — 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 (4 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-20040241172-A1 Pretargeting methods and compounds HLCS, BTD, STRA6 TDP1 3824/4885MEN1 723/4885ABL1 3654/4885
US-20030099640-A1 Three-step pretargeting methods and compounds PAICS, KLK3, CD47 TDP1 3450/4885MEN1 685/4885ABL1 555/4885
US-20130190268-A1 BIOTINYLATED POLYSACCHARIDES HAVING AN ANTITHROMBOTIC ACTIVITY AND IMPROVED METABOLIC STABILITY BTD, FGB, F13B TDP1 4155/4885MEN1 3269/4885ABL1 4828/4885
US-20030129191-A1 Pretargeting methods and compounds BTD, HLCS, STRA6 TDP1 3339/4885MEN1 496/4885ABL1 3294/4885

“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.

Send feedback