SCHEMBL6774685

SCHEMBL6774685

CCOC(=O)C(Cc1cccc(N)c1)(NC(C)=O)C(=O)OCC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.73
RECQL P46063 1/20 0.73
MAPK1 P28482 1/20 0.57
PKM P14618 2/20 0.50
KDM4E B2RXH2 1/20 0.50
THRB P10828 2/20 0.49
ATM Q13315 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 2/20 0.48
TAAR1 Q96RJ0 1/20 0.44
POLB P06746 1/20 0.43
MMP8 P22894 2/20 0.42
PTPRB P23467 2/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
ACP1 P24666 1/20 0.41
PPARG P37231 1/20 0.39

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
SCHEMBL6295221 0.88 ALDH1A1 (0.71) ALDH1A1RECQLMAPK1PKMKDM4E
SCHEMBL5861624 0.86 ALDH1A1 (0.71) ALDH1A1RECQLMAPK1PKMKDM4E
SCHEMBL30655553 0.86 ALDH1A1 (0.71) ALDH1A1RECQLMAPK1PKMKDM4E
SCHEMBL627157 0.86 ALDH1A1 (0.71) ALDH1A1RECQLMAPK1PKMKDM4E
SCHEMBL27395266 0.85 ALDH1A1 (1.00) ALDH1A1RECQLMAPK1PKMKDM4E
SCHEMBL6775301 0.85 ALDH1A1 (0.70) ALDH1A1RECQLMAPK1PKMKDM4E
SCHEMBL7176501 0.84 ALDH1A1 (0.65) ALDH1A1RECQLMAPK1PKMKDM4E
SCHEMBL7192519 0.84 ALDH1A1 (0.68) ALDH1A1RECQLMAPK1PKMKDM4E
SCHEMBL6782409 0.83 ALDH1A1 (0.76) ALDH1A1RECQLMAPK1PKMKDM4E
SCHEMBL6296702 0.83 ALDH1A1 (0.67) ALDH1A1RECQLMAPK1PKMKDM4E

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 ALDH1A1 3856/4885RECQL 510/4885MAPK1 2819/4885

“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.