Sugi Predict

Sugi Predict / Compounds / SCHEMBL1711902

SCHEMBL1711902

SCHEMBL1711902

O=C1COc2ccc(N3C[C@H](CCO)OC3=O)cc2N1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ NR3C2 P08235 5/20 0.44
▸ DRD4 P21917 5/20 0.44
▸ DRD2 P14416 4/20 0.44
▸ DRD3 P35462 3/20 0.44
▸ PARP1 P09874 1/20 0.43
▸ MMP12 P39900 1/20 0.43
▸ NR3C1 P04150 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ GAA P10253 1/20 0.41

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
SCHEMBL1711906 1.00 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL1712073 1.00 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL592012 0.91 ALDH1A1 (0.52) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL592011 0.91 ALDH1A1 (0.52) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL1845036 0.90 ALDH1A1 (0.51) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL1845035 0.90 ALDH1A1 (0.51) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL591583 0.89 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL16179910 0.89 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL14691086 0.89 ALDH1A1 (0.46) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL14691085 0.89 ALDH1A1 (0.46) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2

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
US-9822114-B2 Tricyclic oxazolidinone antibiotic compounds IDORSIA PHARMACEUTICALS LTD (CH) 2017-11-21 — — US disclosed
EP-2986607-B1 ANTIBACTERIAL BIAROMATIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-06-14 — — EP disclosed
US-9527867-B2 Antibacterial biaromatic derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-12-27 — — US disclosed
US-20160237088-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS IDORSIA PHARMACEUTICALS LTD (CH) 2016-08-18 — — US disclosed
US-9346804-B2 Tricyclic oxazolidinone antibiotic compounds ACTELION PHARMACEUTICALS LTD. (CH) 2016-05-24 — — US disclosed
US-20160075722-A1 Antibacterial Biaromatic Derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2016-03-17 — — US disclosed
EP-2986607-A1 ANTIBACTERIAL BIAROMATIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2016-02-24 — — EP disclosed
WO-2014170821-A1 ANTIBACTERIAL BIAROMATIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-10-23 — — WO disclosed
US-20140142093-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2014-05-22 — — US disclosed
US-8618092-B2 Tricyclic oxazolidinone antibiotic compounds ACTELION PHARMACEUTICALS LTD. (CH) 2013-12-31 — — US disclosed
EP-2257551-B1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-04-10 — — EP disclosed
US-8349828-B2 Azatricyclic antibiotic compounds ACTELION PHARMACEUTICALS LTD. (CH) 2013-01-08 — — US disclosed
US-8349826-B2 Oxazolidinone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2013-01-08 — — US disclosed
EP-2254887-B1 OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-12-19 — — EP disclosed
US-20110195961-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-11 — — US disclosed
EP-2344495-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2011-07-20 — — EP disclosed
US-20100331318-A1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2010-12-30 — — US disclosed
EP-2254887-A1 OXAZOLIDINONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-12-01 — — EP disclosed
WO-2010041194-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-15 — — WO disclosed
WO-2009104159-A1 OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 — — 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 (5 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-20160075722-A1 Antibacterial Biaromatic Derivatives CYC1, C5, CYCS ALDH1A1 1630/4885KMT2A 3677/4885SMN1; SMN2 2935/4885
US-20100331318-A1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ZYX, AZI2, NAT1 ALDH1A1 1608/4885KMT2A 751/4885SMN1; SMN2 3425/4885
US-20110195961-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS HRH3, OXA1L, HRH1 ALDH1A1 3208/4885KMT2A 3604/4885SMN1; SMN2 4123/4885
US-20160237088-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS H1-3, HRH3, HRH4 ALDH1A1 3572/4885KMT2A 2455/4885SMN1; SMN2 4195/4885
US-20140142093-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS OXA1L, H1-3, NGLY1 ALDH1A1 3751/4885KMT2A 3329/4885SMN1; SMN2 3997/4885

“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.