SCHEMBL6776900

SCHEMBL6776900

C=CCCCNc1ccc(C[C@H](N)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.49
PTGS1 P23219 3/20 0.47
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
XIAP P98170 1/20 0.47
GRB2 P62993 1/20 0.46
PTPRC P08575 1/20 0.44
PTPN1 P18031 2/20 0.43
TPH1 P17752 1/20 0.43
HIF1A Q16665 4/20 0.42
ALOX15 P16050 3/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
USP2 O75604 1/20 0.42
EGFR P00533 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
HTR2A P28223 1/20 0.42
PTGS2 P35354 1/20 0.42

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 SCHEMBL6776387 0.99 SLC7A5 (0.48) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL2778870 0.83 SLC7A5 (0.54) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL2778873 0.83 SLC7A5 (0.54) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL28673374 0.82 HIF1A (0.54) SLC7A5PTGS1ALPIPKMXIAP
Hydrochloric Acid SCHEMBL6770920 0.82 SLC7A5 (0.53) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL5024993 0.82 HIF1A (0.54) SLC7A5PTGS1ALPIPKMXIAP
Hydrochloric Acid SCHEMBL6770921 0.82 SLC7A5 (0.53) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL19234904 0.81 SLC7A5 (0.51) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL28670451 0.81 SLC7A5 (0.51) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL28670453 0.81 SLC7A5 (0.51) SLC7A5PTGS1ALPIPKMXIAP

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 SLC7A5 846/4885PTGS1 1729/4885ALPI 1714/4885

“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.