SCHEMBL6036951

SCHEMBL6036951

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.74
▸ MEN1 O00255 1/20 0.62
▸ ABL1 P00519 1/20 0.62
▸ LMNA P02545 1/20 0.62
▸ PKM P14618 1/20 0.62
▸ IDE P14735 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ RIN1 Q13671 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ HLCS P50747 6/20 0.56
▸ HPSE Q9Y251 1/20 0.49
▸ CA12 O43570 4/20 0.49
▸ CA1 P00915 4/20 0.49
▸ CA2 P00918 4/20 0.49
▸ CA9 Q16790 4/20 0.49
▸ F2 P00734 1/20 0.49
▸ PRSS1 P07477 1/20 0.49
▸ PRSS2 P07478 1/20 0.49
▸ PRSS3 P35030 1/20 0.49

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
SCHEMBL21176811 0.91 TDP1 (0.81) TDP1MEN1ABL1LMNAPKM
SCHEMBL21114407 0.91 TDP1 (0.81) TDP1MEN1ABL1LMNAPKM
SCHEMBL28119479 0.91 TDP1 (0.81) TDP1MEN1ABL1LMNAPKM
SCHEMBL28283183 0.91 TDP1 (0.81) TDP1MEN1ABL1LMNAPKM
SCHEMBL22265330 0.89 TDP1 (0.79) TDP1MEN1ABL1LMNAPKM
SCHEMBL28157478 0.87 TDP1 (0.76) TDP1MEN1ABL1LMNAPKM
SCHEMBL28298433 0.86 HLCS (0.76) TDP1MEN1ABL1LMNAPKM
SCHEMBL21488759 0.86 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM
SCHEMBL19170150 0.86 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM
SCHEMBL10047674 0.86 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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0906015-A4 LIVER RETENTION CLEARING AGENTS NEORX CORP (US) 2004-05-12 — — EP disclosed
US-6709652-B2 RADIOACTIVE LABELING OF BIOTIN NEORX CORPORATION 2004-03-23 — — US disclosed
EP-1346730-A1 Pretargeting methods and novel pretargeting conjugates NEORX CORPORATION (US) 2003-09-24 — — EP 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-0794788-B1 HEPATIC-DIRECTED COMPOUNDS AND REAGENTS FOR PREPARATION THEREOF NEORX CORP (US) 2003-05-14 — — EP disclosed
EP-0646019-B9 Biotin-DOTA conjugates and their use in pretargeting methods NEORX CORP (US) 2002-12-18 — — EP disclosed
EP-0733066-A1 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-1996017613-A1 HEPATIC-DIRECTED COMPOUNDS AND REAGENTS FOR PREPARATION THEREOF NEORX CORPORATION (US) 1996-06-13 — — WO disclosed
WO-1995015978-A1 PRETARGETING METHODS AND COMPOUNDS NEORX CORPORATION (US) 1995-06-15 — — WO disclosed
WO-1995015770-A1 PRETARGETING METHODS AND COMPOUNDS NEORX CORPORATION (US) 1995-06-15 — — WO disclosed
WO-1995015979-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 (3 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-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.

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