SCHEMBL564269

SCHEMBL564269

O=S(=O)(Oc1ccc(CBr)nc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
MAOB P27338 2/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
CA12 O43570 2/20 0.37

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
SCHEMBL27702178 0.88 TDP1 (0.46) TDP1L3MBTL1GAAMAPK1MAOB
SCHEMBL8559907 0.85 TDP1 (0.49) TDP1L3MBTL1GAAMAPK1MAOB
SCHEMBL564671 0.82 TDP1 (0.46) TDP1L3MBTL1GAAMAPK1MAOB
SCHEMBL6813857 0.80 TDP1 (0.44) TDP1L3MBTL1GAAMAPK1MAOB
SCHEMBL7263592 0.77 TDP1 (0.41) TDP1MAPTALDH1A1PKMSMN1; SMN2
SCHEMBL8564373 0.76 TDP1 (0.53) TDP1L3MBTL1GAAMAPK1MAOB
SCHEMBL6814536 0.74 TDP1 (0.50) TDP1L3MBTL1GAAMAPK1MAOB
SCHEMBL27702182 0.74 TDP1 (0.46) TDP1L3MBTL1GAAMAPK1MAOB
SCHEMBL5259969 0.73 SCN9A (0.40) TDP1L3MBTL1GAAMAPK1MAOB
SCHEMBL13571093 0.71 P4HTM (0.55) L3MBTL1GAAMAOBMAPTRAB9A

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5760237-A Synthesis of l-azatyrosine using pseudoephedrine as a chiral auxiliary CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-06-02 US claimed
EP-2607362-B1 Piperidine and piperazine carboxylates as FAAH inhibitors ASTELLAS PHARMA INC (JP) 2014-12-31 EP disclosed
US-8673942-B2 Fused ring compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-18 US disclosed
EP-1849773-B1 Piperazine derivatives for the treatment of urinary incontinence and pain ASTELLAS PHARMA INC (JP) 2013-10-16 EP disclosed
US-8557805-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-15 US disclosed
EP-2607362-A1 Piperidine and piperazine carboxylates as FAAH inhibitors Astellas Pharma Inc. (JP) 2013-06-26 EP disclosed
US-20120035163-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-02-09 US disclosed
EP-2371826-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-10-05 EP disclosed
US-20110098297-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-28 US disclosed
US-7919495-B2 Pyridyl non-aromatic nitrogen-containing heterocyclic-1-carboxylate compound ASTELLAS PHARMA, INC. (JP) 2011-04-05 US disclosed
US-6780874-B2 AUTOIMMUNE DISEASE; ANTIINFLAMMATORY AGENTS; ANTIPROLIFERATIVE AGENT CELLTECH R & D LIMITED (GB) 2004-08-24 US disclosed
US-20030229116-A1 ENAMINE DERIVATIVES UCB PHARMA S.A. (BE) 2003-12-11 US disclosed
US-6610700-B2 Inhibit binding of integrins to their ligands, use in immune or inflammatory disorders; 3-(4-((2,6-Naphthyridinyl)amino)-phenyl)-2-((2-(1-ethylpropyl)-3-oxo-1 -cyclopentenyl) amino)-propionic acid, for example CELLTECH R & D LIMITED (GB) 2003-08-26 US disclosed
EP-1332132-A2 ENAMINE DERIVATIVES AS CELL ADHESION MOLECULES Celltech R&D Limited (GB) 2003-08-06 EP disclosed
US-6369229-B1 IMMUNOLOGY AND ANTIINFLAMMATORY AGENTS CELLTECH THERAPEUTICS, LIMITED (GB) 2002-04-09 US disclosed
US-20020037909-A1 Enamine derivatives UCB PHARMA S.A. (BE) 2002-03-28 US disclosed
WO-2001079173-A2 ENAMINE DERIVATIVES AS CELL ADHESION MOLECULES CELLTECH R & D LIMITED (GB) 2001-10-25 WO disclosed
US-6110945-A AN ANTIINFLAMMATORY AGENT INHIBITING THE BINDING OF INTEGRINS TO THEIR LIGANDS; IN THE PROPHYLAXIS FOR TREATING IMMUNE OR INFLAMMATORY DISORDERS CELLTECH THERAPEUTICS LIMITED (GB) 2000-08-29 US disclosed
US-6037357-A ANTITUMOR AND ANTIMETASTASIS AGENTS UNITECH PHARMACEUTICALS, INC. (US) 2000-03-14 US disclosed
US-5760237-A Synthesis of l-azatyrosine using pseudoephedrine as a chiral auxiliary CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-06-02 US 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-20020037909-A1 Enamine derivatives CCR1, ITGB2, CCR10 TDP1 4149/4885L3MBTL1 1768/4885GAA 4337/4885
US-20030229116-A1 ENAMINE DERIVATIVES ITGB2, CCR1, CCR10 TDP1 4035/4885L3MBTL1 1385/4885GAA 4293/4885
US-20120035163-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF GPR119, GCKR, SLC5A1 TDP1 3718/4885L3MBTL1 3702/4885GAA 57/4885
US-20110098297-A1 FUSED RING COMPOUNDS AND USE THEREOF GCKR, GPR119, SLC5A1 TDP1 3034/4885L3MBTL1 3978/4885GAA 26/4885

“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.