SCHEMBL2001795

SCHEMBL2001795

CCCC(=O)ON(OCl)OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.33
KDM6B O15054 1/20 0.31
KDM5C P41229 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
LMNA P02545 1/20 0.31
FFAR3 O14843 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL9324501 0.81 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL29948771 0.77 ALDH1A1 (0.55) ALDH1A1TSHRKDM6BKDM5CEGLN1
SCHEMBL17731042 0.77 ALDH1A1 (0.38) ALDH1A1
SCHEMBL8786935 0.69 ALDH1A1 (0.50) ALDH1A1TSHRKDM6BKDM5CEGLN1
SCHEMBL8778249 0.69 ALDH1A1 (0.50) ALDH1A1TSHRKDM6BKDM5CEGLN1
SCHEMBL291621 0.68
SCHEMBL1324058 0.67
SCHEMBL17686889 0.66 ALDH1A1 (0.52) ALDH1A1TSHRKDM6BKDM5CEGLN1
Hydrochloric Acid SCHEMBL519616 0.66 KDM6B (0.60) ALDH1A1TSHRKDM6BKDM5CEGLN1
SCHEMBL28937863 0.66 ALDH1A1 (0.52) ALDH1A1TSHRKDM6BKDM5CEGLN1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0438314-B1 Process for the production of 3-(1-amino-1,3-dicarboxy-3-hydroxy-but-4-yl) indole TECHNOLOGY FINANCE CORP (ZA) 1994-04-27 EP claimed
US-5128482-A Process for the production of 3-1(1-amino-1,3-dicarboxy-3-hydroxy-but-4-yl) indole TECHNOLOGY FINANCE CORPORATION (PROPRIETARY) LIMITED (ZA) 1992-07-07 US claimed
EP-0438314-A1 Process for the production of 3-(1-amino-1,3-dicarboxy-3-hydroxy-but-4-yl) indole TECHNOLOGY FINANCE CORPORATION (PROPRIETARY) LIMITED (ZA) 1991-07-24 EP claimed
EP-2384327-A1 FUSED RING COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-11-09 EP disclosed
US-7960383-B2 phosphodiesterase enzyme inhibitor; 4-[(3-chlorophenyl)amino]-2-ethyl-5-(1-hydroxyethyl)-6-phenylpyridazin-3(2H)-one; potent antiinflammatory agent; asthma, atopic dermatitis, psoriasis, chronic obstructive pulmonary disease, rheumatoid arthritis, irritable bowel disease LABORATORIOS ALMIRALL SA (ES) 2011-06-14 US disclosed
EP-1758869-B1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL SA (ES) 2010-12-22 EP disclosed
US-20080280918-A1 Pyridazin-3(2H)-One Derivatives and Their Use as Pde4 Inhibitors ALMIRALL PRODESFARMA, SA (ES) 2008-11-13 US disclosed
EP-1758869-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2007-03-07 EP disclosed
WO-2005123692-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2005-12-29 WO disclosed
US-5434175-A PARASITICIDES, INSECTICIDES AND MITICIDES ROUSSEL UCLAF (FR) 1995-07-18 US disclosed
EP-0438314-B1 Process for the production of 3-(1-amino-1,3-dicarboxy-3-hydroxy-but-4-yl) indole TECHNOLOGY FINANCE CORP (ZA) 1994-04-27 EP disclosed
US-5128482-A Process for the production of 3-1(1-amino-1,3-dicarboxy-3-hydroxy-but-4-yl) indole TECHNOLOGY FINANCE CORPORATION (PROPRIETARY) LIMITED (ZA) 1992-07-07 US disclosed
EP-0438314-A1 Process for the production of 3-(1-amino-1,3-dicarboxy-3-hydroxy-but-4-yl) indole TECHNOLOGY FINANCE CORPORATION (PROPRIETARY) LIMITED (ZA) 1991-07-24 EP 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-20080280918-A1 Pyridazin-3(2H)-One Derivatives and Their Use as Pde4 Inhibitors PDE12, PDE4A, PDE4B ALDH1A1 457/4885TSHR 2798/4885KDM6B 1504/4885

“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.