SCHEMBL6776253

SCHEMBL6776253

CCOC(=O)C(C(=O)OCC)N(Cc1cccc([N+](=O)[O-])c1)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ PYCR1 P32322 1/20 0.48
▸ LMNA P02545 5/20 0.47
▸ MAPT P10636 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ ACHE P22303 1/20 0.47
▸ GLO1 Q04760 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ PKM P14618 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CCR6 P51684 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL11601588 0.85 MAPT (0.46) PYCR1LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL6774687 0.80 L3MBTL1 (0.43) LMNAMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL6775308 0.78 ALDH1A1 (0.41) LMNAMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL7709511 0.78 GLO1 (0.50) CYP1A2CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL3815135 0.78 GLO1 (0.50) CYP1A2CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL1205553 0.77 GLO1 (0.49) CYP1A2CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL7176695 0.77 MEP1A (0.46) CYP1A2LMNAALDH1A1MAOBHTT
SCHEMBL7192522 0.77 ALDH1A1 (0.40) LMNAMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL30811231 0.77 GLO1 (0.49) CYP1A2CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL958643 0.77 GLO1 (0.49) CYP1A2CYP2D6CYP2C9CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6833382-B2 By muta-synthesis using a mutated micro-organism to influence the biosynthesis of at least one of the precursors of group B streptogramines; mutant strain employed is preferably derived from the strain S. pristinaespiralis SP92 AVENTIS PHARMA S.A. (FR) 2004-12-21 — — US disclosed
US-20020142947-A1 STREPTOGRAMINS AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS AVENTIS PHARMA, S.A. 2002-10-03 — — US disclosed
US-6352839-B1 PREPARING VIRGINIAMYCINS FROM AN ENGINEERED MICROORGANISMS, HAVING THE ABILITY TO PREVENT BIOSYNTHESIS OF THE PRECURSOR ANTIBIOTIC; THE MICROORGANISM IS CULTURED IN THE PRESENCE OF A SECOND PRECURSOR AND THE STREPTOGRAMIN ANALOG IS RECOVERED AVENTIS PHARMA S.A. (FR) 2002-03-05 — — US disclosed
EP-0511347-A1 META-SUBSTITUTED PHENYL ALANINE DERIVATIVES Pentapharm A.G. (CH) 1992-11-04 — — EP disclosed
WO-1992008709-A1 META-SUBSTITUTED PHENYL ALANINE DERIVATIVES PENTAPHARM AG (CH) 1992-05-29 — — 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 (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-20020142947-A1 STREPTOGRAMINS AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS EMG1, FBL, SMS CYP1A2 1958/4885CYP2D6 944/4885CYP2C9 1285/4885

“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.

Send feedback