SCHEMBL6776896

SCHEMBL6776896

C=CCN(CC)c1ccc(C[C@H](N)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.57
CYP3A4 P08684 3/20 0.57
ALOX15 P16050 3/20 0.57
PTGS1 P23219 3/20 0.57
ALDH1A1 P00352 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
KDM4E B2RXH2 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 2/20 0.57
ABCB11 O95342 1/20 0.57
CHRM2 P08172 1/20 0.57
ADRA2A P08913 1/20 0.57
CHRM1 P11229 1/20 0.57
ACHE P22303 1/20 0.57
OPRM1 P35372 1/20 0.57
DRD3 P35462 1/20 0.57
SLC6A3 Q01959 1/20 0.57
KCNH2 Q12809 1/20 0.57

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
Hydrochloric Acid SCHEMBL6774436 0.99 HIF1A (0.56) HIF1ACYP3A4ALOX15PTGS1ALDH1A1
Hydrochloric Acid SCHEMBL7718001 0.99 HIF1A (0.56) HIF1ACYP3A4ALOX15PTGS1ALDH1A1
Hydrochloric Acid SCHEMBL6774434 0.99 HIF1A (0.56) HIF1ACYP3A4ALOX15PTGS1ALDH1A1
SCHEMBL2777991 0.92 HIF1A (0.62) HIF1ACYP3A4ALOX15PTGS1ALDH1A1
SCHEMBL2777994 0.92 HIF1A (0.62) HIF1ACYP3A4ALOX15PTGS1ALDH1A1
Hydrochloric Acid SCHEMBL6770813 0.90 HIF1A (0.61) HIF1ACYP3A4ALOX15PTGS1ALDH1A1
Hydrochloric Acid SCHEMBL6770816 0.90 HIF1A (0.61) HIF1ACYP3A4ALOX15PTGS1ALDH1A1
Hydrochloric Acid SCHEMBL6770819 0.90 HIF1A (0.61) HIF1ACYP3A4ALOX15PTGS1ALDH1A1
SCHEMBL2778090 0.87 HIF1A (0.68) HIF1ACYP3A4ALOX15PTGS1ALDH1A1
SCHEMBL2778088 0.87 HIF1A (0.68) HIF1ACYP3A4ALOX15PTGS1ALDH1A1

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 claimed
US-20020142947-A1 STREPTOGRAMINS AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS AVENTIS PHARMA, S.A. 2002-10-03 US claimed
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 HIF1A 1689/4885CYP3A4 2915/4885ALOX15 3530/4885

“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.