SCHEMBL2777702

SCHEMBL2777702

CCOc1cccc(CC(N)C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 7/20 0.58
NOS3 P29474 3/20 0.56
NOS1 P29475 3/20 0.56
NOS2 P35228 3/20 0.56
PTGS1 P23219 2/20 0.56
ALPI P09923 1/20 0.56
PKM P14618 1/20 0.56
XIAP P98170 1/20 0.56
GRIA2 P42262 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
EGFR P00533 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
ALOX15 P16050 1/20 0.49
HTR2A P28223 1/20 0.49
PTGS2 P35354 1/20 0.49
RECQL P46063 1/20 0.49

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
SCHEMBL2777704 1.00 SLC7A5 (0.58) SLC7A5NOS3NOS1NOS2PTGS1
SCHEMBL31537556 1.00 SLC7A5 (0.58) SLC7A5NOS3NOS1NOS2PTGS1
Hydrochloric Acid SCHEMBL6774239 0.99 SLC7A5 (0.57) SLC7A5NOS3NOS1NOS2PTGS1
Hydrochloric Acid SCHEMBL6774244 0.99 SLC7A5 (0.57) SLC7A5NOS3NOS1NOS2PTGS1
Hydrochloric Acid SCHEMBL6774240 0.99 SLC7A5 (0.57) SLC7A5NOS3NOS1NOS2PTGS1
SCHEMBL11091262 0.87 PPARA (0.59) SLC7A5NOS3NOS1NOS2PTGS1
SCHEMBL26985814 0.86 LTA4H (0.49) SLC7A5SMN1; SMN2KDM4ETDP1
SCHEMBL26995245 0.86 LTA4H (0.49) SLC7A5SMN1; SMN2KDM4ETDP1
SCHEMBL25356665 0.85 SLC7A5 (0.56) SLC7A5NOS3NOS1NOS2PTGS1
SCHEMBL25359079 0.85 SLC7A5 (0.56) SLC7A5NOS3NOS1NOS2PTGS1

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 23 patents — showing the first 20. 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
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
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus SEATTLE GENETICS, INC. (US) 2018-06-19 US disclosed
WO-2016118825-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-07-28 WO disclosed
EP-1917020-B1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS INC (US) 2016-05-25 EP disclosed
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 US disclosed
US-8343928-B2 Monomethylvaline compounds having phenylalanine side-chain replacements at the C-terminus SEATTLE GENETICS, INC. (US) 2013-01-01 US disclosed
US-8343928-B2 Monomethylvaline compounds having phenylalanine side-chain replacements at the C-terminus SEATTLE GENETICS, INC. (US) 2013-01-01 US disclosed
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
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
EP-0773956-B1 PURIFIED FORM OF STREPTOGRAMINES, PREPARATION OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2001-07-04 EP disclosed
EP-0773956-A1 PURIFIED FORM OF STREPTOGRAMINES, PREPARATION OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 1997-05-21 EP disclosed
EP-0770132-A1 STREPTOGRAMINES AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS Aventis Pharma S.A. (FR) 1997-05-02 EP disclosed
WO-1996004298-A1 PURIFIED FORM OF STREPTOGRAMINES, PREPARATION OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1996-02-15 WO 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 (3 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-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP SLC7A5 50/4885NOS3 2665/4885NOS1 3306/4885
US-20020142947-A1 STREPTOGRAMINS AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS EMG1, FBL, SMS SLC7A5 846/4885NOS3 2628/4885NOS1 1877/4885
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus PTMS, MMAB, DNPEP SLC7A5 54/4885NOS3 2629/4885NOS1 3266/4885

“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.