SCHEMBL6770867

SCHEMBL6770867

CCCN(CC)c1ccc(CCC(=O)NC(C(=O)OCC)C(=O)OCC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.51
ESRRG P62508 2/20 0.46
AOC3 Q16853 2/20 0.44
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
ALDH1A1 P00352 2/20 0.40
UTS2R Q9UKP6 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL6775475 0.85 CNR2 (0.48) CNR2ESRRGAOC3NPY1RNPY2R
SCHEMBL6771650 0.82 CNR2 (0.45) CNR2AOC3NPY1RNPY2RALDH1A1
SCHEMBL6777236 0.82 ALDH1A1 (0.45) CNR2ESRRGL3MBTL1ALDH1A1UTS2R
SCHEMBL6782416 0.78 PPID (0.47) ALDH1A1CYP4F2CYP4A11HDAC3NAMPT
SCHEMBL20502747 0.77 ALDH1A1 (0.68) ALDH1A1UTS2RKMT2A
SCHEMBL6774237 0.76 NAMPT (0.42) ALDH1A1CYP4F2CYP4A11KMT2AHDAC3
SCHEMBL6774976 0.76 POLB (0.47) ESRRGALDH1A1UTS2RCYP4F2CYP4A11
SCHEMBL6781100 0.76 ALDH1A1 (0.45) ALDH1A1CYP4F2CYP4A11HDAC3HDAC4
SCHEMBL27541550 0.76 NAMPT (0.57) ALDH1A1CYP4F2CYP4A11MEN1KMT2A
SCHEMBL7619439 0.75 ALDH1A1 (0.44) CNR2ALDH1A1CYP4F2CYP4A11MEN1

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 4 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-6384014-B1 ANTIBIOTICS AS BACTERICIDES AVENTIS PHARMA S.A. (FR) 2002-05-07 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

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 CNR2 4806/4885ESRRG 4400/4885AOC3 4470/4885

“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.