SCHEMBL6775308

SCHEMBL6775308

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ LMNA P02545 4/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ MEP1B Q16820 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ PARP1 P09874 1/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL7192522 0.89 ALDH1A1 (0.40) ALDH1A1LMNAL3MBTL1HSD17B10POLB
SCHEMBL6774687 0.82 L3MBTL1 (0.43) ALDH1A1LMNAL3MBTL1HSD17B10POLB
SCHEMBL27475763 0.81 L3MBTL1 (0.60) ALDH1A1LMNAL3MBTL1HSD17B10POLB
SCHEMBL7176695 0.79 MEP1A (0.46) ALDH1A1LMNAL3MBTL1HSD17B10POLB
SCHEMBL7176514 0.78 F10 (0.49) MEP1B
SCHEMBL6776253 0.78 CYP1A2 (0.50) ALDH1A1LMNAMEN1KMT2AMAPK1
SCHEMBL11562229 0.78 KMT2A (0.45) ALDH1A1LMNAHSD17B10POLBTP53
SCHEMBL11600743 0.75 MAPT (0.48) ALDH1A1LMNAHSD17B10TP53MEN1
SCHEMBL6781095 0.75 ALDH1A1 (0.42) ALDH1A1LMNAL3MBTL1HSD17B10POLB
SCHEMBL2688609 0.74 LMNA (0.48) ALDH1A1LMNAL3MBTL1MEN1KMT2A

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 3856/4885LMNA 929/4885L3MBTL1 2328/4885

“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.

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