Sugi Predict

Sugi Predict / Compounds / SCHEMBL2828624

SCHEMBL2828624

SCHEMBL2828624

CC(OC(Cl)c1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CYP2D6 P10635 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ HCAR2 Q8TDS4 1/20 0.42
▸ LMNA P02545 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ PTGS1 P23219 3/20 0.41
▸ PTGS2 P35354 3/20 0.40
▸ APAF1 O14727 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CXCR1 P25024 1/20 0.39
▸ CXCR2 P25025 1/20 0.39
▸ RECQL P46063 1/20 0.39

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
SCHEMBL809270 0.98 KMT2A (0.43) KMT2ACYP1A2GAACYP2C9PKM
SCHEMBL3671462 0.98 KMT2A (0.43) KMT2ACYP1A2GAACYP2C9PKM
SCHEMBL6898472 0.80 HCAR2 (0.49) KMT2ACYP1A2GAACYP2C9PKM
SCHEMBL187761 0.80 KMT2A (0.47) KMT2ACYP1A2GAACYP2C9PKM
SCHEMBL3774968 0.76 TSHR (0.55) CYP1A2CYP2D6SRCLMNA
SCHEMBL7417686 0.74 GSR (0.49) KMT2ACYP1A2GAACYP2C9PKM
SCHEMBL28797863 0.74 KMT2A (0.46) KMT2ACYP1A2GAACYP2C9PKM
SCHEMBL11378188 0.73 PDK2 (0.42) KMT2ACYP1A2GAACYP2C9PKM
SCHEMBL1408551 0.72 ALDH1A1 (0.55) KMT2ACYP2D6SRCHCAR2LMNA
SCHEMBL4483187 0.72 KMT2A (0.44) KMT2ACYP1A2GAACYP2D6HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4476486-B2 — — 2010-06-09 — — JP claimed
CN-1699325-A A process for the preparation of 2-chloro-3-(phenylmethoxy)propionic acid potassium salt BRACCO IMAGING SPA (IT) 2005-11-23 — — CN claimed
JP-2002520305-A — — 2002-07-09 — — JP claimed
CN-1307558-A Process for preparing 4-carboxy-5, 8, 11-tris (carboxymethyl) -1-phenyl-2-oxa-5, 8, 11-triazatridecane-13-oic acid BRACCO IMAGING SPA (IT) 2001-08-08 — — CN 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
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-1948590-B1 PROCESS FOR THE PREPARATION OF CONTRAST AGENTS BRACCO IMAGING SPA (IT) 2010-08-18 — — EP disclosed
US-20090306424-A1 PROCESS FOR THE PREPARATION OF CONTRAST AGENTS BRACCO IMAGING S.P.A. (IT) 2009-12-10 — — US disclosed
US-7592482-B2 Process for the preparation of contrast agents BRACCO IMAGING S.P.A. (IT) 2009-09-22 — — US disclosed
US-20090118537-A1 Process for the Preparation of Contrast Agents BRACCO IMAGING S.P.A. (IT) 2009-05-07 — — US disclosed
EP-1948590-A1 PROCESS FOR THE PREPARATION OF CONTRAST AGENTS Bracco Imaging S.p.A. (IT) 2008-07-30 — — EP disclosed
WO-2007031390-A1 PROCESS FOR THE PREPARATION OF CONTRAST AGENTS BRACCO IMAGING S.P.A. (IT) 2007-03-22 — — WO disclosed
EP-1762563-A1 Process for the preparation of contrast agents BRACCO IMAGING S.p.A. (IT) 2007-03-14 — — EP disclosed
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 disclosed
CN-1307558-A Process for preparing 4-carboxy-5, 8, 11-tris (carboxymethyl) -1-phenyl-2-oxa-5, 8, 11-triazatridecane-13-oic acid BRACCO IMAGING SPA (IT) 2001-08-08 — — CN disclosed
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 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
EP-1047677-A2 Process for the preparation of derivatives of 1,4,7,10-tetraazacyclododecane-1,4-diacetic acid BRACCO S.p.A. (IT) 2000-11-02 — — EP 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-1999035133-A2 1,4,7,10-TETRAAZACYCLODODECANE-1,4-DIACETIC ACID DERIVATIVES AS CHELATING AGENTS BRACCO S.P.A. (IT) 1999-07-15 — — 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 KMT2A 798/4885CYP1A2 330/4885GAA 1333/4885
US-20090118537-A1 Process for the Preparation of Contrast Agents MGMT, CA14, CA4 KMT2A 798/4885CYP1A2 330/4885GAA 1333/4885

“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.