SCHEMBL3962036

SCHEMBL3962036

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ ABL1 P00519 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ IDE P14735 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ RIN1 Q13671 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ FOLH1 Q04609 6/20 0.54
▸ HLCS P50747 6/20 0.52
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45

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
SCHEMBL30337427 0.87 HLCS (0.58) TDP1MEN1ABL1LMNAPKM
SCHEMBL6159219 0.86 HLCS (0.60) TDP1MEN1ABL1LMNAPKM
SCHEMBL7545265 0.85 TDP1 (0.55) TDP1MEN1ABL1LMNAPKM
SCHEMBL5341777 0.85 TDP1 (0.60) TDP1MEN1ABL1LMNAPKM
SCHEMBL5804916 0.84 TDP1 (0.61) TDP1MEN1ABL1LMNAPKM
SCHEMBL5817718 0.84 HLCS (0.63) TDP1MEN1ABL1LMNAPKM
SCHEMBL739034 0.84 TDP1 (0.63) TDP1MEN1ABL1LMNAPKM
SCHEMBL29512013 0.84 TDP1 (0.63) TDP1MEN1ABL1LMNAPKM
SCHEMBL30800274 0.84 TDP1 (0.61) TDP1MEN1ABL1LMNAPKM
SCHEMBL31378057 0.84 TDP1 (0.69) 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040462-B2 In vivo production of cyclic peptides for inhibiting protein-protein interaction RIGEL PHARMACEUTICALS, INC. (US) 2015-05-26 — — US disclosed
WO-2001066565-A9 IN VIVO PRODUCTION OF CYCLIC PEPTIDES RIGEL PHARMACEUTICALS INC (US) 2009-03-26 — — WO disclosed
US-20080261819-A1 IN VIVO PRODUCTION OF CYCLIC PEPTIDES FOR INHIBITING PROTEIN-PROTEIN INTERACTION RIGEL PHARMACEUTICALS, INC. 2008-10-23 — — US disclosed
EP-1575553-A4 IN VIVO PRODUCTION OF CYCLIC PEPTIDES FOR INHIBITING PROTEIN-PROTEIN INTERACTION RIGEL PHARMACEUTICALS INC (US) 2008-07-30 — — EP disclosed
US-7378248-B2 In vivo production of cyclic peptides for inhibiting protein-protein interaction RIGEL PHARMACEUTICALS, INC. (US) 2008-05-27 — — US disclosed
US-7252952-B2 In vivo production of cyclic peptides for inhibiting protein—protein interaction RIGEL PHARMACEUTICALS, INC. (US) 2007-08-07 — — US disclosed
US-20070105140-A1 In vivo production of cyclic peptides NUFARM AMERICAS INC. 2007-05-10 — — US disclosed
US-7208571-B2 In vivo production of cyclic peptides RIGEL PHARMACEUTICALS, INC. (US) 2007-04-24 — — US disclosed
US-7141366-B1 Surface display of selenocysteine-containing peptides NEW ENGLAND BIOLABS, INC. (US) 2006-11-28 — — US disclosed
US-7105341-B2 In vivo production of cyclic peptides RIGEL PHARMACEUTICALS. INC. (US) 2006-09-12 — — US disclosed
US-20050260626-A1 In vivo production of cyclic peptides for inhibiting protein-protein interaction RIGEL PHARMACEUTICALS, INC. 2005-11-24 — — US disclosed
US-20050233456-A1 IN VIVO PRODUCTION OF CYCLIC PEPTIDES RIGEL PHARMACEUTICALS, INC. 2005-10-20 — — US disclosed
EP-1575553-A2 IN VIVO PRODUCTION OF CYCLIC PEPTIDES FOR INHIBITING PROTEIN-PROTEIN INTERACTION Rigel Pharmaceuticals, Inc. (US) 2005-09-21 — — EP disclosed
US-20050158820-A1 In vivo production of cyclic peptides RIGEL PHARMACEUTICALS, INC. 2005-07-21 — — US disclosed
US-20050048548-A1 Surface display of selenocysteine-containing peptides NEW ENGLAND BIOLABS, INC. 2005-03-03 — — US disclosed
WO-2004019890-A2 IN VIVO PRODUCTION OF CYCLIC PEPTIDES FOR INHIBITING PROTEIN-PROTEIN INTERACTION RIGEL PHARMACEUTICALS, INC. (US) 2004-03-11 — — WO disclosed
US-20040014100-A1 In vivo production of cyclic peptides for inhibiting protein-protein interaction RIGEL PHARMACEUTICALS, INC. 2004-01-22 — — US disclosed
EP-1263777-A2 IN VIVO PRODUCTION OF CYCLIC PEPTIDES Rigel Pharmaceuticals, Inc. (US) 2002-12-11 — — EP disclosed
WO-2001066565-A2 IN VIVO PRODUCTION OF CYCLIC PEPTIDES RIGEL PHARMACEUTICALS, INC. (US) 2001-09-13 — — WO disclosed
WO-2000070100-A1 SURFACE DISPLAY OF SELENOCYSTEINE-CONTAINING PEPTIDES NEW ENGLAND BIOLABS, INC. (US) 2000-11-23 — — 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 (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-20050158820-A1 In vivo production of cyclic peptides VIP, NGLY1, FURIN TDP1 1683/4885MEN1 1741/4885ABL1 1702/4885

“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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