SCHEMBL276432

SCHEMBL276432

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

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.62
▸ MEN1 O00255 1/20 0.61
▸ ABL1 P00519 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ PKM P14618 1/20 0.61
▸ IDE P14735 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ RIN1 Q13671 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ CA12 O43570 6/20 0.56
▸ CA1 P00915 6/20 0.56
▸ CA2 P00918 6/20 0.56
▸ CA9 Q16790 6/20 0.56
▸ HLCS P50747 5/20 0.54
▸ CAPN1 P07384 2/20 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
SCHEMBL6839651 0.87 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL21606796 0.85 TDP1 (0.68) TDP1MEN1ABL1LMNAPKM
SCHEMBL21524656 0.84 TDP1 (0.68) TDP1MEN1ABL1LMNAPKM
SCHEMBL19901346 0.84 TDP1 (0.68) TDP1MEN1ABL1LMNAPKM
SCHEMBL12724896 0.84 TDP1 (0.68) TDP1MEN1ABL1LMNAPKM
SCHEMBL10615187 0.83 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL21841832 0.83 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL21841843 0.83 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL21841844 0.83 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL20143684 0.82 TDP1 (0.61) 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-20120195951-A1 Therapeutic Inhibitor of Vascular Smooth Muscle Cells KUNZ LAWRENCE L (US) 2012-08-02 — — US disclosed
US-8158670-B2 Therapeutic inhibitor of vascular smooth muscle cells BOSTON SCIENTIFIC SCIMED, INC. (US) 2012-04-17 — — US disclosed
US-8097642-B2 Therapeutic inhibitor of vascular smooth muscle cells BOSTON SCIENTIFIC SCIMED, INC. 2012-01-17 — — US disclosed
US-8067022-B2 Inhibiting stenosis following vascular trauma or disease by administering a conjugate of a vascular smooth muscle binding protein that associates with a cell surface of the vascular smooth muscle coupled to a drug inhibiting cellular activity BOSTON SCIENTIFIC SCIMED, INC. (US) 2011-11-29 — — US disclosed
EP-2324829-A1 Therapeutic inhibitors of vascular smooth muscle cells Boston Scientific Limited (BB) 2011-05-25 — — EP disclosed
EP-2298310-A2 Therapeutic inhibitors of vascular smooth muscle cells Boston Scientific Limited (BB) 2011-03-23 — — EP disclosed
EP-2292225-A1 Dosage form comprising taxol in crystalline form BOSTON SCIENTIFIC SCIMED LIMITED (BB) 2011-03-09 — — EP disclosed
EP-0975340-B2 THERAPEUTIC INHIBITOR OF VASCULAR SMOOTH MUSCLE CELLS BOSTON SCIENT LTD (BB) 2009-10-28 — — EP disclosed
EP-2098230-A1 Use of cytoskeletal inhibitors in crystalline form for the inhibition or prevention of restenosis BOSTON SCIENTIFIC SCIMED LIMITED (BB) 2009-09-09 — — EP disclosed
US-20090196931-A1 THERAPEUTIC INHIBITOR OF VASCULAR SMOOTH MUSCLE CELLS KUNZ LAWRENCE L 2009-08-06 — — US disclosed
WO-1998043618-A2 USE OF CYTOSKELETAL INHIBITORS FOR THE PREVENTION OF RESTENOSIS NEORX CORPORATION (US) 1998-10-08 — — WO disclosed
US-5811447-A Therapeutic inhibitor of vascular smooth muscle cells NEORX CORPORATION (US) 1998-09-22 — — US disclosed
US-5733925-A ADMINISTERING TAXOL TREATING CARDIOVASCULAR DISORDER NEORX CORPORATION (US) 1998-03-31 — — US disclosed
EP-0809515-A1 THERAPEUTIC INHIBITOR OF VASCULAR SMOOTH MUSCLE CELLS NEORX CORPORATION (US) 1997-12-03 — — EP disclosed
EP-0752885-A1 THERAPEUTIC INHIBITOR OF VASCULAR SMOOTH MUSCLE CELLS NEORX CORPORATION (US) 1997-01-15 — — EP disclosed
WO-1996025176-A1 THERAPEUTIC INHIBITOR OF VASCULAR SMOOTH MUSCLE CELLS NEORX CORPORATION (US) 1996-08-22 — — WO disclosed
EP-0752885-A4 THERAPEUTIC INHIBITOR OF VASCULAR SMOOTH MUSCLE CELLS NEORX CORP (US) 1996-02-06 — — EP disclosed
EP-0681475-A1 THERAPEUTIC INHIBITORS OF VASCULAR SMOOTH MUSCLE CELLS NEORX CORPORATION (US) 1995-11-15 — — EP disclosed
WO-1994016706-A1 THERAPEUTIC INHIBITORS OF VASCULAR SMOOTH MUSCLE CELLS NEORX CORPORATION (US) 1994-08-04 — — WO disclosed
WO-1994007529-A1 THERAPEUTIC INHIBITOR OF VASCULAR SMOOTH MUSCLE CELLS NEORX CORPORATION (US) 1994-04-14 — — 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-20090196931-A1 THERAPEUTIC INHIBITOR OF VASCULAR SMOOTH MUSCLE CELLS MYLK, TNNI3, MYLK2 TDP1 2152/4885MEN1 3644/4885ABL1 637/4885

“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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