SCHEMBL6777236

SCHEMBL6777236

CCOC(=O)C(NC(=O)CCc1ccc(N(CC)C(C)C)cc1)C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
CNR2 P34972 1/20 0.44
MAPT P10636 6/20 0.41
MCL1 Q07820 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
UTS2R Q9UKP6 2/20 0.39
ESRRG P62508 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NAMPT P43490 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP4Z1 Q86W10 1/20 0.38
RXFP1 Q9HBX9 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL6770867 0.82 CNR2 (0.51) ALDH1A1CNR2CYP4F2CYP4A11UTS2R
SCHEMBL6782416 0.79 PPID (0.47) ALDH1A1MAPTCYP4F2CYP4A11NAMPT
SCHEMBL6775475 0.79 CNR2 (0.48) ALDH1A1CNR2CYP4F2CYP4A11UTS2R
SCHEMBL6771650 0.79 CNR2 (0.45) ALDH1A1CNR2MAPTCYP4F2CYP4A11
SCHEMBL20502747 0.78 ALDH1A1 (0.68) ALDH1A1UTS2RKMT2ARXFP1
SCHEMBL6774976 0.77 POLB (0.47) ALDH1A1MAPTSMN1; SMN2CYP4F2CYP4A11
SCHEMBL6781100 0.77 ALDH1A1 (0.45) ALDH1A1MAPTCYP4F2CYP4A11NAMPT
SCHEMBL27541550 0.77 NAMPT (0.57) ALDH1A1MAPTCYP4F2CYP4A11NAMPT
SCHEMBL7619439 0.76 ALDH1A1 (0.44) ALDH1A1CNR2MAPTSMN1; SMN2CYP4F2
SCHEMBL11601593 0.75 KCNJ1 (0.48) ALDH1A1MAPTL3MBTL1MEN1CYP3A4

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 3 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

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 ALDH1A1 3856/4885CNR2 4806/4885MAPT 4380/4885

“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.