Sugi Predict

Sugi Predict / Compounds / SCHEMBL626181

SCHEMBL626181

SCHEMBL626181

O=C(NC(CN(c1ccccc1)c1ccccc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.52
▸ PPARG P37231 1/20 0.52
▸ CTSK P43235 4/20 0.51
▸ TACR1 P25103 2/20 0.51
▸ CTRB1 P17538 2/20 0.50
▸ CTSL P07711 2/20 0.50
▸ CTSB P07858 2/20 0.50
▸ CTSS P25774 2/20 0.50
▸ IDO1 P14902 1/20 0.50
▸ TDO2 P48775 1/20 0.50
▸ ITGB3 P05106 4/20 0.49
▸ ITGA2B P08514 4/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ MME P08473 1/20 0.48
▸ ECE1 P42892 1/20 0.48

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
SCHEMBL626180 1.00 PPARA (0.52) PPARAPPARGCTSKTACR1CTRB1
SCHEMBL2702212 0.89 KYNU (0.58) CTSKTACR1CTSLCTSBCTSS
SCHEMBL2702376 0.89 KYNU (0.58) CTSKTACR1CTSLCTSBCTSS
SCHEMBL19832112 0.81 CTSK (0.53) PPARAPPARGCTSKCTSLCTSB
SCHEMBL201710 0.81 PPARA (0.57) PPARAPPARGCTSKTACR1CTRB1
SCHEMBL457686 0.81 PPARA (0.57) PPARAPPARGCTSKTACR1CTRB1
SCHEMBL479010 0.81 TACR1 (0.68) CTSKTACR1CTRB1CTSLCTSB
SCHEMBL220648 0.81 TACR1 (0.68) CTSKTACR1CTRB1CTSLCTSB
SCHEMBL7372270 0.81 TACR1 (0.68) CTSKTACR1CTRB1CTSLCTSB
SCHEMBL219151 0.81 TACR1 (0.68) CTSKTACR1CTRB1CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2603491-B1 PROCESS FOR THE PREPARATION OF ENANTIOMERIC FORMS OF 2,3-DIAMINOPROPIONIC ACID DERIVATIVES SANOFI SA (FR) 2014-09-24 — — EP claimed
US-20130211085-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERIC FORMS OF 2,3-DIAMINOPROPIONIC ACID DERIVATIVES SANOFI (FR) 2013-08-15 — — US claimed
EP-2603491-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERIC FORMS OF 2,3-DIAMINOPROPIONIC ACID DERIVATIVES SANOFI (FR) 2013-06-19 — — EP claimed
WO-2012019967-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERIC FORMS OF 2,3-DIAMINOPROPIONIC ACID DERIVATIVES SANOFI (FR) 2012-02-16 — — WO claimed
US-9434696-B2 Process for the preparation of enantiomeric forms of 2,3-diaminopropionic acid derivatives SANOFI (FR) 2016-09-06 — — US disclosed
US-8877926-B2 Process for the preparation of enantiomeric forms of 2,3-diaminopropionic acid derivatives SANOFI (FR) 2014-11-04 — — US disclosed
EP-2603491-B1 PROCESS FOR THE PREPARATION OF ENANTIOMERIC FORMS OF 2,3-DIAMINOPROPIONIC ACID DERIVATIVES SANOFI SA (FR) 2014-09-24 — — EP disclosed
US-8809358-B2 Use of IκB-kinase inhibitors in pain therapy SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2014-08-19 — — US disclosed
US-8778955-B2 Indole derivatives or benzimidazole derivatives for modulating IkB kinase SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2014-07-15 — — US disclosed
US-20130211085-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERIC FORMS OF 2,3-DIAMINOPROPIONIC ACID DERIVATIVES SANOFI (FR) 2013-08-15 — — US disclosed
EP-2603491-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERIC FORMS OF 2,3-DIAMINOPROPIONIC ACID DERIVATIVES SANOFI (FR) 2013-06-19 — — EP disclosed
EP-2233483-B1 Indole or Benzimidazole derivatives as IkB-kinase modulators and intermediates in their preparation. SANOFI AVENTIS DEUTSCHLAND (DE) 2012-05-09 — — EP disclosed
US-7285560-B2 Indole derivatives or benzimidazole derivatives for modulating IκB kinase SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-10-23 — — US disclosed
US-20070244139-A1 Indole Derivatives or Benzimidazole Derivatives for Modulating IkB Kinase SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-10-18 — — US disclosed
US-20050197353-A1 Indole derivatives or benzimidazole derivatives for modulating IkB kinase AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-09-08 — — US disclosed
EP-1531819-A1 USE OF I kappa B KINASE INHIBITORS FOR THE TREATMENT OF PAIN Aventis Pharma Deutschland GmbH (DE) 2005-05-25 — — EP disclosed
EP-1530568-A1 INDOLE OR BENZIMIDAZOLE DERIVATIVES FOR MODULATING I&kB KINASE Aventis Pharma Deutschland GmbH (DE) 2005-05-18 — — EP disclosed
US-20040116494-A1 Use of IkappaB-kinase inhibitors in pain therapy AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-17 — — US disclosed
WO-2004022057-A1 USE OF IκB KINASE INHIBITORS FOR THE TREATMENT OF PAIN AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-03-18 — — WO disclosed
WO-2004022553-A1 INDOLE OR BENZIMIDAZOLE DERIVATIVES FOR MODULATING IκB KINASE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-03-18 — — 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 (3 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-20130211085-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERIC FORMS OF 2,3-DIAMINOPROPIONIC ACID DERIVATIVES C9, DDT, IDUA PPARA 1281/4885PPARG 2695/4885CTSK 3414/4885
US-20070244139-A1 Indole Derivatives or Benzimidazole Derivatives for Modulating IkB Kinase IKBKB, IKBKG, IKBKE PPARA 2000/4885PPARG 1447/4885CTSK 1216/4885
US-20050197353-A1 Indole derivatives or benzimidazole derivatives for modulating IkB kinase IKBKB, IKBKG, IKBKE PPARA 2000/4885PPARG 1447/4885CTSK 1216/4885

“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.