SCHEMBL6771201

SCHEMBL6771201

CCCCc1ccc(C[C@@H](N)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.61
PTGS1 P23219 3/20 0.59
ALPI P09923 1/20 0.59
PKM P14618 1/20 0.59
XIAP P98170 1/20 0.59
KIF11 P52732 1/20 0.57
ALDH1A1 P00352 4/20 0.56
HSD17B10 Q99714 2/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 3/20 0.51
HIF1A Q16665 3/20 0.51
KDM4E B2RXH2 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
RARB P10826 1/20 0.51
USP2 O75604 1/20 0.51
EGFR P00533 1/20 0.51
LCK P06239 1/20 0.51
FYN P06241 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
HTR2A P28223 1/20 0.51

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
SCHEMBL2779653 1.00 SLC7A5 (0.61) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL2779651 1.00 SLC7A5 (0.61) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL180335 0.95 RARB (0.59) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL169161 0.95 SLC7A5 (0.59) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL1993787 0.95 SLC7A5 (0.59) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL28381546 0.93 S1PR2 (0.60) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL28653399 0.89 SLC7A5 (0.65) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL2496326 0.89 SLC7A5 (0.65) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL9008834 0.87 SLC7A5 (0.48) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL14435721 0.87 SLC7A5 (0.50) 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 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 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.