SCHEMBL809091

SCHEMBL809091

O=C(O)C(Cl)COCc1ccccc1.[KH]

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 3/20 0.54
CA1 P00915 4/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
TSHR P16473 1/20 0.48
FOLH1 Q04609 1/20 0.48
ALDH1A1 P00352 2/20 0.47
TACR1 P25103 2/20 0.45
MAPK1 P28482 1/20 0.44
PPARA Q07869 1/20 0.44
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL809052 0.98 SLC1A1 (0.55) SLC1A1CA1CA2CA7CA9
SCHEMBL809237 0.96 SLC1A1 (0.54) SLC1A1CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL5551687 0.96 SLC1A1 (0.54) SLC1A1CA1CA2CA7CA9
SCHEMBL5551683 0.86 ALDH1A1 (0.52) SLC1A1CA1CA2CA7CA9
SCHEMBL27740201 0.85 SLC1A1 (0.48) SLC1A1CA1CA2CA7CA9
SCHEMBL11025934 0.84 ALDH1A1 (0.55) SLC1A1CA1CA2CA7CA9
SCHEMBL6442451 0.83 SMN1; SMN2 (0.47) SLC1A1CA1CA2CA7CA9
SCHEMBL809238 0.83 SLC1A1 (0.48) SLC1A1CA1CA2CA7CA9
Potassium Ion SCHEMBL809092 0.83 SLC1A1 (0.48) SLC1A1CA1CA2CA7CA9
SCHEMBL31532269 0.81 ALDH1A1 (0.47) SLC1A1CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1588998-B1 A process for the preparation of 2-chloro-3-(phenylmethoxy)propionic acid potassium salt BRACCO IMAGING SPA (IT) 2011-11-30 EP claimed
EP-1948590-B1 PROCESS FOR THE PREPARATION OF CONTRAST AGENTS BRACCO IMAGING SPA (IT) 2010-08-18 EP claimed
JP-4476486-B2 2010-06-09 JP claimed
US-20090306424-A1 PROCESS FOR THE PREPARATION OF CONTRAST AGENTS BRACCO IMAGING S.P.A. (IT) 2009-12-10 US claimed
US-7592482-B2 Process for the preparation of contrast agents BRACCO IMAGING S.P.A. (IT) 2009-09-22 US claimed
US-20090118537-A1 Process for the Preparation of Contrast Agents BRACCO IMAGING S.P.A. (IT) 2009-05-07 US claimed
EP-1948590-A1 PROCESS FOR THE PREPARATION OF CONTRAST AGENTS Bracco Imaging S.p.A. (IT) 2008-07-30 EP claimed
WO-2007031390-A1 PROCESS FOR THE PREPARATION OF CONTRAST AGENTS BRACCO IMAGING S.P.A. (IT) 2007-03-22 WO claimed
EP-1762563-A1 Process for the preparation of contrast agents BRACCO IMAGING S.p.A. (IT) 2007-03-14 EP claimed
EP-1588998-A1 A process for the preparation of 2-chloro-3-(phenylmethoxy)propionic acid potassium salt Bracco Imaging S.p.A. (IT) 2005-10-26 EP claimed
EP-1095009-B1 A PROCESS FOR THE PREPARATION OF 4-CARBOXY- 5,8,11- TRIS(CARBOXYMETHYL)- 1-PHENYL- 2-OXA- 5,8,11- TRIAZATRIDECAN- 13-OIC ACID BRACCO IMAGING SPA (IT) 2005-06-15 EP claimed
JP-2002520305-A 2002-07-09 JP claimed
EP-1095009-A2 A PROCESS FOR THE PREPARATION OF 4-CARBOXY- 5,8,11- TRIS(CARBOXYMETHYL)- 1-PHENYL- 2-OXA- 5,8,11- TRIAZATRIDECAN- 13-OIC ACID Bracco Imaging S.p.A. (IT) 2001-05-02 EP claimed
US-6162947-A Process for the preparation of 4-carboxy-5, 8,11-tris (carboxymethyl)-phenyl-2-oxa-5, 8 11-triazatridecan DIBRA S.P.A. (IT) 2000-12-19 US claimed
WO-2000002847-A2 A PROCESS FOR THE PREPARATION OF 4-CARBOXY- 5,8,11- TRIS(CARBOXYMETHYL)- 1-PHENYL- 2-OXA- 5,8,11- TRIAZATRIDECAN- 13-OIC ACID BRACCO S.P.A. (IT) 2000-01-20 WO claimed
EP-1588998-B1 A process for the preparation of 2-chloro-3-(phenylmethoxy)propionic acid potassium salt BRACCO IMAGING SPA (IT) 2011-11-30 EP disclosed
EP-1588998-B1 A process for the preparation of 2-chloro-3-(phenylmethoxy)propionic acid potassium salt BRACCO IMAGING SPA (IT) 2011-11-30 EP disclosed
US-6162947-A Process for the preparation of 4-carboxy-5, 8,11-tris (carboxymethyl)-phenyl-2-oxa-5, 8 11-triazatridecan DIBRA S.P.A. (IT) 2000-12-19 US disclosed
WO-2000002847-A2 A PROCESS FOR THE PREPARATION OF 4-CARBOXY- 5,8,11- TRIS(CARBOXYMETHYL)- 1-PHENYL- 2-OXA- 5,8,11- TRIAZATRIDECAN- 13-OIC ACID BRACCO S.P.A. (IT) 2000-01-20 WO disclosed
WO-1999045968-A1 MANGANESE CHELATES WITH HIGH RELAXIVITY IN SERUM BRACCO S.P.A. (IT) 1999-09-16 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 (2 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-20090306424-A1 PROCESS FOR THE PREPARATION OF CONTRAST AGENTS MGMT, CA14, CA4 SLC1A1 2414/4885CA1 23/4885CA2 123/4885
US-20090118537-A1 Process for the Preparation of Contrast Agents MGMT, CA14, CA4 SLC1A1 2414/4885CA1 23/4885CA2 123/4885

“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.