SCHEMBL2779534

SCHEMBL2779534

N[C@@H](Cc1ccc(N2CCCC2)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.57
PTGS1 P23219 3/20 0.56
ALPI P09923 1/20 0.56
PKM P14618 1/20 0.56
XIAP P98170 1/20 0.56
ALOX15 P16050 4/20 0.50
CYP3A4 P08684 3/20 0.50
HIF1A Q16665 3/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
ABCB11 O95342 1/20 0.50
CHRM2 P08172 1/20 0.50
ADRA2A P08913 1/20 0.50
CHRM1 P11229 1/20 0.50
ACHE P22303 1/20 0.50
OPRM1 P35372 1/20 0.50

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
SCHEMBL2779539 1.00 SLC7A5 (0.57) SLC7A5PTGS1ALPIPKMXIAP
Hydrochloric Acid SCHEMBL6776419 0.98 SLC7A5 (0.56) SLC7A5PTGS1ALPIPKMXIAP
Hydrochloric Acid SCHEMBL6776426 0.98 SLC7A5 (0.56) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL16861052 0.93 SLC7A5 (0.61) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL18280216 0.93 SLC7A5 (0.61) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL5024981 0.88 SLC7A5 (0.54) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL28706525 0.88 SLC7A5 (0.54) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL6753271 0.88 SLC7A5 (0.54) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL2265830 0.86 SLC7A5 (0.53) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL31370107 0.86 SLC7A5 (0.53) 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 15 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
CN-1152338-A Streptogramines and method for preparing same by mutasynthesis RHONE POULENC RORER SA (FR) 1997-06-18 CN claimed
EP-0770132-A1 STREPTOGRAMINES AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS Aventis Pharma S.A. (FR) 1997-05-02 EP claimed
WO-1996001901-A1 STREPTOGRAMINES AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS RHONE-POULENC RORER S.A. (FR) 1996-01-25 WO claimed
EP-2248901-A1 Streptogramines and method for preparing same by mutasynthesis Aventis Pharma S.A. (FR) 2010-11-10 EP disclosed
EP-0770132-B1 NEW STREPTOGRAMINES AVENTIS PHARMA SA (FR) 2010-09-08 EP disclosed
EP-1753719-B1 SUBSTITUTED PYRROLIDINE-2-ONES NOVARTIS AG (CH) 2010-03-03 EP disclosed
US-20070172421-A1 Substituted pyrrolidine-2-ones NOVARTIS AG (CH) 2007-07-26 US disclosed
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
CN-1152338-A Streptogramines and method for preparing same by mutasynthesis RHONE POULENC RORER SA (FR) 1997-06-18 CN disclosed
EP-0770132-A1 STREPTOGRAMINES AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS Aventis Pharma S.A. (FR) 1997-05-02 EP disclosed
WO-1996001901-A1 STREPTOGRAMINES AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS RHONE-POULENC RORER S.A. (FR) 1996-01-25 WO 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 (2 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-20070172421-A1 Substituted pyrrolidine-2-ones PRLHR, EPOR, FLT1 SLC7A5 596/4885PTGS1 1759/4885ALPI 3360/4885
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.